 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer06_STD_M11_augccpVDZ.in
 Output=11_L-cysteine_conformer06_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-15572.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     15577.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer06_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:55:59 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer06_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.824986000000     -0.666603000000      0.347306000000
  S                                                 2.495075000000     -0.054602000000     -0.089557000000
  C                                                -0.221037000000      0.216722000000     -0.323933000000
  N                                                -0.188511000000      1.631984000000      0.059661000000
  C                                                -1.629570000000     -0.363004000000     -0.074223000000
  O                                                -1.864770000000     -1.539961000000     -0.094885000000
  O                                                -2.562752000000      0.569109000000      0.133443000000
  H                                                -0.078218000000      0.164081000000     -1.407000000000
  H                                                 0.693275000000     -0.641977000000      1.430481000000
  H                                                 0.698595000000     -1.689914000000      0.005954000000
  H                                                -2.079379000000      1.426945000000      0.123163000000
  H                                                 0.398384000000      2.178893000000     -0.555449000000
  H                                                 0.162984000000      1.752083000000      1.003071000000
  H                                                 3.176630000000     -1.096242000000      0.411704000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:56:00 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.824986   -0.666603    0.347306
      2         16           0        2.495075   -0.054602   -0.089557
      3          6           0       -0.221037    0.216722   -0.323933
      4          7           0       -0.188511    1.631984    0.059661
      5          6           0       -1.629570   -0.363004   -0.074223
      6          8           0       -1.864770   -1.539961   -0.094885
      7          8           0       -2.562752    0.569109    0.133443
      8          1           0       -0.078218    0.164081   -1.407000
      9          1           0        0.693275   -0.641977    1.430481
     10          1           0        0.698595   -1.689914    0.005954
     11          1           0       -2.079379    1.426945    0.123163
     12          1           0        0.398384    2.178893   -0.555449
     13          1           0        0.162984    1.752083    1.003071
     14          1           0        3.176630   -1.096242    0.411704
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.831554   0.000000
     3  C    1.524791   2.739674   0.000000
     4  N    2.528521   3.173086   1.466686   0.000000
     5  C    2.508925   4.136187   1.543503   2.464661   0.000000
     6  O    2.862355   4.605928   2.416662   3.590956   1.200406
     7  O    3.612408   5.101015   2.411845   2.602339   1.335211
     8  H    2.140888   2.899192   1.093710   2.077979   2.112062
     9  H    1.091431   2.429405   2.156687   2.797784   2.781649
    10  H    1.086122   2.431195   2.142384   3.438728   2.680946
    11  H    3.587272   4.813093   2.262293   1.903012   1.856127
    12  H    3.015593   3.098656   2.070603   1.010898   3.287159
    13  H    2.591972   3.145885   2.065368   1.013901   2.974459
    14  H    2.391436   1.341937   3.716070   4.346415   4.886033
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.233269   0.000000
     8  H    2.795921   2.951258   0.000000
     9  H    3.110741   3.708200   3.048972   0.000000
    10  H    2.569727   3.969360   2.457066   1.768468   0.000000
    11  H    2.982639   0.984702   2.817955   3.698260   4.176804
    12  H    4.377655   3.440102   2.238695   3.462396   3.920838
    13  H    4.019309   3.096016   2.896268   2.489058   3.623322
    14  H    5.086181   5.982585   3.935751   2.722373   2.580259
                   11         12         13         14
    11  H    0.000000
    12  H    2.676798   0.000000
    13  H    2.430668   1.632962   0.000000
    14  H    5.837410   4.402334   4.188643   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.85D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.824986   -0.666603    0.347306
      2         16           0        2.495075   -0.054602   -0.089557
      3          6           0       -0.221037    0.216722   -0.323933
      4          7           0       -0.188511    1.631984    0.059661
      5          6           0       -1.629570   -0.363004   -0.074223
      6          8           0       -1.864770   -1.539961   -0.094885
      7          8           0       -2.562752    0.569109    0.133443
      8          1           0       -0.078218    0.164081   -1.407000
      9          1           0        0.693275   -0.641977    1.430481
     10          1           0        0.698595   -1.689914    0.005954
     11          1           0       -2.079379    1.426945    0.123163
     12          1           0        0.398384    2.178893   -0.555449
     13          1           0        0.162984    1.752083    1.003071
     14          1           0        3.176630   -1.096242    0.411704
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5400208           1.1872945           0.9739895
 Leave Link  202 at Thu Aug 12 20:56:00 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       375.3095290542 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:56:03 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.80D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:56:03 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:56:04 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer06_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:56:04 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -721.808743735699    
 DIIS: error= 6.45D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -721.808743735699     IErMin= 1 ErrMin= 6.45D-03
 ErrMax= 6.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-02 BMatP= 1.38D-02
 IDIUse=3 WtCom= 9.36D-01 WtEn= 6.45D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.419 Goal=   None    Shift=    0.000
 GapD=    0.419 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.90D-03 MaxDP=3.01D-01              OVMax= 1.63D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.84D-03    CP:  9.64D-01
 E= -721.820214047535     Delta-E=       -0.011470311836 Rises=F Damp=F
 DIIS: error= 1.35D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -721.820214047535     IErMin= 2 ErrMin= 1.35D-03
 ErrMax= 1.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.17D-04 BMatP= 1.38D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.35D-02
 Coeff-Com:  0.545D-02 0.995D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.538D-02 0.995D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.55D-03 MaxDP=8.72D-02 DE=-1.15D-02 OVMax= 7.54D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.08D-03    CP:  9.64D-01  1.13D+00
 E= -721.820573058436     Delta-E=       -0.000359010901 Rises=F Damp=F
 DIIS: error= 1.17D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -721.820573058436     IErMin= 3 ErrMin= 1.17D-03
 ErrMax= 1.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.58D-04 BMatP= 6.17D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.17D-02
 Coeff-Com: -0.445D-01 0.503D+00 0.541D+00
 Coeff-En:   0.000D+00 0.191D+00 0.809D+00
 Coeff:     -0.439D-01 0.499D+00 0.545D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.70D-04 MaxDP=1.52D-02 DE=-3.59D-04 OVMax= 4.46D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.72D-04    CP:  9.64D-01  1.15D+00  1.12D+00
 E= -721.820943513098     Delta-E=       -0.000370454663 Rises=F Damp=F
 DIIS: error= 1.31D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -721.820943513098     IErMin= 4 ErrMin= 1.31D-04
 ErrMax= 1.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-05 BMatP= 5.58D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.31D-03
 Coeff-Com: -0.951D-02 0.226D-01 0.114D+00 0.873D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.950D-02 0.226D-01 0.114D+00 0.873D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.30D-04 MaxDP=7.03D-03 DE=-3.70D-04 OVMax= 1.13D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.42D-05    CP:  9.63D-01  1.15D+00  1.20D+00  1.11D+00
 E= -721.820958503413     Delta-E=       -0.000014990314 Rises=F Damp=F
 DIIS: error= 7.28D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -721.820958503413     IErMin= 5 ErrMin= 7.28D-05
 ErrMax= 7.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.00D-06 BMatP= 1.36D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.185D-02-0.552D-01-0.269D-01 0.385D+00 0.695D+00
 Coeff:      0.185D-02-0.552D-01-0.269D-01 0.385D+00 0.695D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=4.22D-05 MaxDP=2.19D-03 DE=-1.50D-05 OVMax= 6.76D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.18D-05    CP:  9.63D-01  1.15D+00  1.23D+00  1.19D+00  1.17D+00
 E= -721.820962163039     Delta-E=       -0.000003659626 Rises=F Damp=F
 DIIS: error= 2.74D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -721.820962163039     IErMin= 6 ErrMin= 2.74D-05
 ErrMax= 2.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.12D-07 BMatP= 4.00D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.203D-02-0.277D-01-0.274D-01 0.720D-01 0.314D+00 0.667D+00
 Coeff:      0.203D-02-0.277D-01-0.274D-01 0.720D-01 0.314D+00 0.667D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=3.13D-04 DE=-3.66D-06 OVMax= 1.87D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.62D-06    CP:  9.63D-01  1.15D+00  1.23D+00  1.20D+00  1.24D+00
                    CP:  1.22D+00
 E= -721.820962653176     Delta-E=       -0.000000490138 Rises=F Damp=F
 DIIS: error= 6.05D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -721.820962653176     IErMin= 7 ErrMin= 6.05D-06
 ErrMax= 6.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-08 BMatP= 5.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-03 0.225D-02-0.150D-02-0.383D-01-0.348D-01 0.120D+00
 Coeff-Com:  0.952D+00
 Coeff:      0.137D-03 0.225D-02-0.150D-02-0.383D-01-0.348D-01 0.120D+00
 Coeff:      0.952D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=6.13D-06 MaxDP=2.65D-04 DE=-4.90D-07 OVMax= 8.56D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.89D-06    CP:  9.63D-01  1.15D+00  1.23D+00  1.20D+00  1.28D+00
                    CP:  1.35D+00  1.24D+00
 E= -721.820962703552     Delta-E=       -0.000000050376 Rises=F Damp=F
 DIIS: error= 1.96D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -721.820962703552     IErMin= 8 ErrMin= 1.96D-06
 ErrMax= 1.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-09 BMatP= 2.47D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.132D-03 0.291D-02 0.204D-02-0.163D-01-0.357D-01-0.294D-01
 Coeff-Com:  0.246D+00 0.831D+00
 Coeff:     -0.132D-03 0.291D-02 0.204D-02-0.163D-01-0.357D-01-0.294D-01
 Coeff:      0.246D+00 0.831D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.72D-06 MaxDP=8.22D-05 DE=-5.04D-08 OVMax= 2.72D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.65D-07    CP:  9.63D-01  1.15D+00  1.23D+00  1.20D+00  1.29D+00
                    CP:  1.38D+00  1.33D+00  1.28D+00
 E= -721.820962708330     Delta-E=       -0.000000004778 Rises=F Damp=F
 DIIS: error= 6.88D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -721.820962708330     IErMin= 9 ErrMin= 6.88D-07
 ErrMax= 6.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-10 BMatP= 2.71D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.420D-04 0.497D-03 0.704D-03-0.801D-03-0.554D-02-0.205D-01
 Coeff-Com: -0.308D-01 0.218D+00 0.838D+00
 Coeff:     -0.420D-04 0.497D-03 0.704D-03-0.801D-03-0.554D-02-0.205D-01
 Coeff:     -0.308D-01 0.218D+00 0.838D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=4.86D-07 MaxDP=2.17D-05 DE=-4.78D-09 OVMax= 1.07D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.09D-07    CP:  9.63D-01  1.15D+00  1.23D+00  1.20D+00  1.29D+00
                    CP:  1.39D+00  1.36D+00  1.40D+00  1.13D+00
 E= -721.820962708873     Delta-E=       -0.000000000543 Rises=F Damp=F
 DIIS: error= 2.27D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -721.820962708873     IErMin=10 ErrMin= 2.27D-07
 ErrMax= 2.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.58D-11 BMatP= 3.18D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.377D-05-0.242D-03-0.294D-04 0.211D-02 0.344D-02-0.258D-02
 Coeff-Com: -0.431D-01-0.484D-01 0.252D+00 0.837D+00
 Coeff:      0.377D-05-0.242D-03-0.294D-04 0.211D-02 0.344D-02-0.258D-02
 Coeff:     -0.431D-01-0.484D-01 0.252D+00 0.837D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.87D-07 MaxDP=1.01D-05 DE=-5.43D-10 OVMax= 4.08D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.93D-08    CP:  9.63D-01  1.15D+00  1.23D+00  1.20D+00  1.29D+00
                    CP:  1.39D+00  1.36D+00  1.44D+00  1.23D+00  1.28D+00
 E= -721.820962708959     Delta-E=       -0.000000000086 Rises=F Damp=F
 DIIS: error= 5.78D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -721.820962708959     IErMin=11 ErrMin= 5.78D-08
 ErrMax= 5.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-12 BMatP= 4.58D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.494D-05-0.823D-04-0.804D-04 0.367D-03 0.102D-02 0.162D-02
 Coeff-Com: -0.234D-02-0.292D-01-0.507D-01 0.118D+00 0.962D+00
 Coeff:      0.494D-05-0.823D-04-0.804D-04 0.367D-03 0.102D-02 0.162D-02
 Coeff:     -0.234D-02-0.292D-01-0.507D-01 0.118D+00 0.962D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=6.00D-08 MaxDP=3.05D-06 DE=-8.64D-11 OVMax= 1.56D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.77D-08    CP:  9.63D-01  1.15D+00  1.23D+00  1.20D+00  1.29D+00
                    CP:  1.39D+00  1.36D+00  1.44D+00  1.25D+00  1.44D+00
                    CP:  1.24D+00
 E= -721.820962708967     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 2.03D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -721.820962708967     IErMin=12 ErrMin= 2.03D-08
 ErrMax= 2.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.45D-13 BMatP= 2.86D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.743D-06 0.441D-05-0.161D-04-0.122D-03-0.106D-03 0.582D-03
 Coeff-Com:  0.349D-02-0.159D-02-0.338D-01-0.529D-01 0.205D+00 0.880D+00
 Coeff:      0.743D-06 0.441D-05-0.161D-04-0.122D-03-0.106D-03 0.582D-03
 Coeff:      0.349D-02-0.159D-02-0.338D-01-0.529D-01 0.205D+00 0.880D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.72D-08 MaxDP=6.79D-07 DE=-8.19D-12 OVMax= 5.13D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.45D-09    CP:  9.63D-01  1.15D+00  1.23D+00  1.20D+00  1.29D+00
                    CP:  1.39D+00  1.36D+00  1.44D+00  1.26D+00  1.48D+00
                    CP:  1.32D+00  1.20D+00
 E= -721.820962708960     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 9.10D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -721.820962708967     IErMin=13 ErrMin= 9.10D-09
 ErrMax= 9.10D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.30D-14 BMatP= 3.45D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.497D-06 0.124D-04 0.706D-05-0.802D-04-0.162D-03-0.674D-04
 Coeff-Com:  0.119D-02 0.350D-02-0.201D-02-0.300D-01-0.768D-01 0.219D+00
 Coeff-Com:  0.885D+00
 Coeff:     -0.497D-06 0.124D-04 0.706D-05-0.802D-04-0.162D-03-0.674D-04
 Coeff:      0.119D-02 0.350D-02-0.201D-02-0.300D-01-0.768D-01 0.219D+00
 Coeff:      0.885D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=5.75D-09 MaxDP=1.50D-07 DE= 7.05D-12 OVMax= 2.24D-07

 SCF Done:  E(RM11) =  -721.820962709     A.U. after   13 cycles
            NFock= 13  Conv=0.58D-08     -V/T= 2.0047
 KE= 7.184090575867D+02 PE=-2.453559940136D+03 EE= 6.380203907857D+02
 Leave Link  502 at Thu Aug 12 20:58:16 2021, MaxMem=  5368709120 cpu:            1047.4 elap:             131.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.48939353D+02

 Leave Link  801 at Thu Aug 12 20:58:17 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 2.28D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.76D-01 6.17D-02.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 2.17D-02 3.68D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 2.48D-03 1.01D-02.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 1.06D-04 1.73D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 4.73D-06 2.98D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 1.46D-07 3.57D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 4.05D-09 6.18D-06.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 8.77D-11 1.32D-06.
     10 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 1.69D-12 1.84D-07.
      4 vectors produced by pass 10 Test12= 1.05D-13 8.33D-09 XBig12= 2.74D-14 2.33D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.928892D+02
      2 -0.564674D+00  0.775224D+02
      3 -0.102604D+01  0.295587D+00  0.614627D+02
 Isotropic polarizability for W=    0.088559       77.29 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.973135D+02 -0.562216D+01  0.281954D+01
      2  -0.567120D+02  0.760812D+00  0.416896D+00
      3  -0.406015D+02  0.486134D+01 -0.323643D+01
      4  -0.880874D+01  0.171017D+02 -0.408768D+01
      5   0.658048D+01 -0.566455D+01  0.664228D+02
      6  -0.161818D+01  0.354165D+01  0.337686D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.143332D+00 -0.321746D+01 -0.184363D+01
      2   0.358359D+01 -0.873838D+00  0.351654D+02
      3   0.565705D+01 -0.132789D+02  0.146883D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.157687D+01  0.312476D+01  0.148448D+01
      2  -0.376095D+01 -0.246950D+01  0.107024D+03
      3  -0.318658D+01 -0.738137D+02  0.404637D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.967208D-01 -0.171056D+00 -0.116612D+01
      2  -0.171056D+00  0.188707D+00 -0.132028D+01
      3  -0.116612D+01 -0.132028D+01  0.646339D+00
 OR G Eigenvalues:    -1.5404     0.2017     2.0770  Iso=    -0.2461
 Eigenvectors:
   (1)   0.568662   0.534004   0.625671
   (2)   0.731685  -0.675923  -0.088123
   (3)  -0.375847  -0.507906   0.775094
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2461 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =     -103.01 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 7.60D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.38D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 4.51D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 2.81D-02 3.60D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 9.40D-04 4.15D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 1.40D-05 5.21D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 2.51D-07 7.20D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 2.98D-09 6.35D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 2.93D-11 5.69D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 2.14D-13 4.04D-08.
      3 vectors produced by pass  8 Test12= 1.74D-14 2.78D-09 XBig12= 1.59D-15 3.83D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   243 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 5.92D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 5.92D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.85D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.928892D+02 -0.564674D+00 -0.102604D+01
      2  -0.564674D+00  0.775224D+02  0.295587D+00
      3  -0.102604D+01  0.295587D+00  0.614627D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.143332D+00 -0.321746D+01 -0.184363D+01
      2   0.358359D+01 -0.873838D+00  0.351654D+02
      3   0.565705D+01 -0.132789D+02  0.146883D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.973135D+02 -0.562216D+01  0.281954D+01
      2  -0.567120D+02  0.760812D+00  0.416896D+00
      3  -0.406015D+02  0.486134D+01 -0.323643D+01
      4  -0.880874D+01  0.171017D+02 -0.408768D+01
      5   0.658048D+01 -0.566455D+01  0.664228D+02
      6  -0.161818D+01  0.354165D+01  0.337686D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.103615D+02 -0.318831D+01  0.164758D+01 -0.418930D+01  0.116531D+01
      2  -0.318831D+01  0.127315D+00 -0.604947D+00  0.116531D+01  0.300710D+01
      3   0.164758D+01 -0.604947D+00 -0.727018D+00  0.714636D+00  0.123593D+01
                 6             7             8             9            10 
      1   0.714636D+00  0.263920D+01  0.426676D+00  0.213923D+01  0.112500D+02
      2   0.123593D+01  0.426676D+00  0.248899D+01  0.108061D+01  0.564466D+01
      3  -0.359571D+00  0.213923D+01  0.108061D+01 -0.617056D+01 -0.294998D+01
                11            12            13            14            15 
      1   0.564466D+01 -0.294998D+01  0.873014D+01  0.217229D+00  0.939791D+00
      2  -0.523417D+00  0.102738D+01  0.217229D+00  0.600625D+01 -0.290087D+01
      3   0.102738D+01  0.143818D+01  0.939791D+00 -0.290087D+01  0.190729D+01
                16            17            18            19            20 
      1  -0.452395D+01  0.804522D+00  0.307758D+01  0.430518D+01  0.310609D+01
      2   0.804522D+00 -0.325745D+01  0.102191D+01  0.310609D+01 -0.131217D+01
      3   0.307758D+01  0.102191D+01 -0.128173D+01 -0.562352D+00  0.436122D+00
                21            22            23            24            25 
      1  -0.562352D+00  0.447379D+01  0.302107D+00  0.128857D+00 -0.147762D+01
      2   0.436122D+00  0.302107D+00 -0.240900D+01 -0.660621D+00  0.987824D+00
      3  -0.743981D+00  0.128857D+00 -0.660621D+00  0.750303D+00 -0.617370D+00
                26            27            28            29            30 
      1   0.987824D+00 -0.617370D+00 -0.151546D+01 -0.152494D+01  0.658388D+00
      2  -0.134467D+01  0.310798D-01 -0.152494D+01 -0.163016D+01  0.823257D-01
      3   0.310798D-01  0.594905D+01  0.658388D+00  0.823257D-01 -0.180333D+01
                31            32            33            34            35 
      1  -0.121048D+01 -0.233021D+01  0.305152D+00  0.928134D+00  0.256581D+00
      2  -0.233021D+01  0.446621D+01  0.926806D+00  0.256581D+00  0.116999D+01
      3   0.305152D+00  0.926806D+00 -0.104657D+01 -0.222745D+01 -0.652837D+00
                36            37            38            39            40 
      1  -0.222745D+01 -0.433105D+01 -0.191084D+01  0.306527D-01 -0.192871D+01
      2  -0.652837D+00 -0.191084D+01  0.102982D+01  0.732192D-01  0.210521D+01
      3  -0.284980D+01  0.306527D-01  0.732192D-01 -0.589953D+00  0.227229D+00
                41            42            43            44            45 
      1   0.210521D+01  0.227229D+00  0.842219D+00  0.230730D+00 -0.310256D+00
      2   0.566989D+01  0.228346D+00  0.230730D+00  0.636262D+00  0.248245D+00
      3   0.228346D+00  0.361629D+00 -0.310256D+00  0.248245D+00 -0.345664D+00
                46            47            48            49            50 
      1  -0.211147D+01 -0.337913D+01 -0.212462D+00 -0.405061D+01 -0.293599D+01
      2  -0.337913D+01 -0.258546D+01 -0.192246D+00 -0.293599D+01 -0.127329D+02
      3  -0.212462D+00 -0.192246D+00 -0.116752D+00 -0.195976D+00 -0.362415D+00
                51            52            53            54            55 
      1  -0.195976D+00 -0.375627D+00 -0.924804D-01 -0.117609D+01 -0.818365D+01
      2  -0.362415D+00 -0.924804D-01 -0.205806D+00 -0.310168D+01  0.173670D+01
      3  -0.228168D+01 -0.117609D+01 -0.310168D+01 -0.231551D+00  0.513994D+00
                56            57            58            59            60 
      1   0.173670D+01  0.513994D+00 -0.188787D+01 -0.375096D+01 -0.551345D-01
      2  -0.231903D+01 -0.140441D+00 -0.375096D+01 -0.588998D+00  0.752447D-01
      3  -0.140441D+00 -0.696718D+00 -0.551345D-01  0.752447D-01  0.413925D+00
                61            62            63            64            65 
      1   0.869510D+00 -0.204165D+00 -0.184023D+01  0.459356D+00 -0.598585D+00
      2  -0.204165D+00 -0.212971D-01  0.121618D+01 -0.598585D+00  0.296574D+00
      3  -0.184023D+01  0.121618D+01  0.739539D+00 -0.906529D+00 -0.101521D+00
                66            67            68            69            70 
      1  -0.906529D+00 -0.103829D+01  0.107393D+00  0.660041D-01 -0.193651D+01
      2  -0.101521D+00  0.107393D+00  0.471000D+00 -0.101069D+01 -0.125840D+00
      3   0.640756D+00  0.660041D-01 -0.101069D+01 -0.274792D+00 -0.483792D-02
                71            72            73            74            75 
      1  -0.125840D+00 -0.483792D-02 -0.131820D+00  0.139975D+00  0.960941D+00
      2  -0.135488D+01  0.893140D-01  0.139975D+00 -0.774624D-01  0.230214D+00
      3   0.893140D-01 -0.743307D+01  0.960941D+00  0.230214D+00 -0.626411D+00
                76            77            78            79            80 
      1   0.102899D+01 -0.474542D+00 -0.380010D-01  0.300208D+01  0.221263D+00
      2  -0.474542D+00 -0.697528D+00  0.902840D+00  0.221263D+00  0.991268D+00
      3  -0.380010D-01  0.902840D+00  0.855108D-01 -0.196284D+01 -0.159267D+01
                81            82            83            84            85 
      1  -0.196284D+01 -0.306947D+00 -0.546812D+00 -0.469447D+00 -0.221657D+01
      2  -0.159267D+01 -0.546812D+00 -0.914397D-01  0.106251D+00 -0.118863D+01
      3   0.761719D+01 -0.469447D+00  0.106251D+00  0.164495D-01 -0.483845D-01
                86            87            88            89            90 
      1  -0.118863D+01 -0.483845D-01 -0.175850D+01 -0.262540D+00 -0.432065D+00
      2  -0.712618D+01 -0.479523D+00 -0.262540D+00 -0.148127D+01 -0.107394D+01
      3  -0.479523D+00 -0.843369D+00 -0.432065D+00 -0.107394D+01 -0.252108D-01
                91            92            93            94            95 
      1   0.217905D+01  0.181359D+01 -0.129007D+00  0.481663D+01  0.139642D+00
      2   0.181359D+01  0.542878D+00  0.924733D-01  0.139642D+00  0.439510D+01
      3  -0.129007D+00  0.924733D-01 -0.433593D+00 -0.147910D+00  0.220595D+00
                96            97            98            99           100 
      1  -0.147910D+00 -0.151783D+00 -0.766600D-01 -0.631305D+00  0.193097D+01
      2   0.220595D+00 -0.766600D-01  0.616779D-01  0.518353D+00  0.164076D+01
      3   0.813777D+00 -0.631305D+00  0.518353D+00  0.155046D+00 -0.787430D+00
               101           102           103           104           105 
      1   0.164076D+01 -0.787430D+00  0.207444D+01  0.183849D+01 -0.783084D+00
      2   0.261878D+01 -0.886936D+00  0.183849D+01  0.355517D+01 -0.112701D+01
      3  -0.886936D+00  0.106987D+01 -0.783084D+00 -0.112701D+01  0.136895D+01
               106           107           108           109           110 
      1  -0.199764D+01 -0.103821D+01  0.107994D+01  0.286790D+00  0.599861D+00
      2  -0.103821D+01 -0.223051D+01  0.157814D+01  0.599861D+00  0.819470D+00
      3   0.107994D+01  0.157814D+01 -0.183058D+01  0.679419D+00  0.723139D+00
               111           112           113           114           115 
      1   0.679419D+00  0.608433D+00  0.430834D+00  0.401437D+00  0.179712D+01
      2   0.723139D+00  0.430834D+00  0.128888D+01  0.809044D+00  0.409944D+00
      3   0.117907D+01  0.401437D+00  0.809044D+00  0.921909D+00  0.141708D+01
               116           117           118           119           120 
      1   0.409944D+00  0.141708D+01  0.653054D+01 -0.353303D+01  0.152623D+01
      2   0.207631D+01  0.169114D+01 -0.353303D+01  0.310430D+01 -0.845039D+00
      3   0.169114D+01  0.507939D+01  0.152623D+01 -0.845039D+00  0.139343D+01
               121           122           123           124           125 
      1  -0.521058D+01  0.437413D+01 -0.151462D+01  0.214337D+01 -0.153765D+01
      2   0.437413D+01 -0.530497D+01  0.214233D+01 -0.153765D+01  0.247137D+01
      3  -0.151462D+01  0.214233D+01 -0.181731D+01  0.148861D+01 -0.105386D+01
               126 
      1   0.148861D+01
      2  -0.105386D+01
      3   0.627943D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112882D+01 -0.118744D+01  0.473548D+00  0.463890D+00  0.502353D+01
      2   0.605722D+01 -0.133873D+01 -0.295464D+01  0.168372D+01 -0.152504D+00
      3   0.708144D+01  0.354104D+01  0.709210D+00  0.128248D+02 -0.376810D+01
                 6             7             8             9            10 
      1  -0.324364D+01  0.462468D+01  0.395082D+01 -0.498208D+01 -0.735889D-01
      2  -0.122238D+01 -0.826749D+01 -0.476023D+00 -0.257237D+01 -0.119911D+02
      3  -0.330824D+01 -0.287544D+01 -0.320331D+01 -0.348722D+01 -0.214098D+02
                11            12            13            14            15 
      1   0.169595D+01  0.433834D+00  0.122474D+01  0.109944D+01 -0.611768D+01
      2   0.199332D+01  0.818864D+01  0.913953D+00 -0.836001D+01  0.629030D+01
      3  -0.255653D+01 -0.110742D+01  0.175561D+02 -0.202133D+02  0.782714D+01
                16            17            18            19            20 
      1  -0.109154D+00  0.101344D+02 -0.173604D+01 -0.208697D+01  0.531303D+00
      2  -0.102690D+02  0.380043D+01 -0.188397D+01  0.170867D+01 -0.653517D+00
      3  -0.174259D+00  0.929772D+01 -0.384256D+01  0.153100D+01 -0.594250D+01
                21            22            23            24            25 
      1  -0.711832D+00  0.200562D+00  0.347502D+00 -0.714186D+00 -0.207194D+01
      2   0.329220D+01  0.210013D+01 -0.912201D+00  0.349765D+01 -0.380000D+01
      3   0.714061D+00 -0.122996D+01 -0.290099D+01  0.201847D+00 -0.820856D-01
                26            27            28            29            30 
      1   0.434665D+01 -0.233637D+00 -0.154707D+01 -0.122119D+01  0.562529D+01
      2   0.152669D+00 -0.477746D+01 -0.127347D+00  0.119360D+01  0.569547D+01
      3   0.198978D+01  0.533045D+00 -0.370574D+01 -0.124179D+02  0.966008D+00
                31            32            33            34            35 
      1  -0.241826D+01 -0.393349D+01 -0.232692D+01  0.569621D+01  0.669103D+01
      2  -0.547955D-02  0.299296D+00 -0.143221D+01 -0.219319D+01  0.114446D-01
      3   0.107639D+01  0.174278D+00  0.156160D+01  0.252205D+01  0.162432D+01
                36            37            38            39            40 
      1   0.534610D+01  0.123605D+01  0.744157D+00  0.436907D+00  0.165262D+01
      2   0.248137D+01 -0.423664D+01 -0.448671D+00 -0.600409D+01 -0.425624D+00
      3  -0.675885D+01 -0.643434D+01  0.119749D+01 -0.137925D+00  0.185943D+01
                41            42            43            44            45 
      1  -0.629688D+00  0.864799D+01  0.132216D+00  0.897720D+01  0.846266D+00
      2   0.102957D+01 -0.276032D+01 -0.199642D+02 -0.226643D+01  0.369186D+01
      3   0.119950D+02 -0.108205D+01  0.603177D+00 -0.184760D+01  0.103044D+01
                46            47            48            49            50 
      1   0.738511D-01  0.240641D+00 -0.281958D+01  0.122762D+00  0.120651D+01
      2   0.302322D+00  0.527939D+00  0.570090D+01 -0.171079D+01 -0.316257D+00
      3  -0.173556D+01 -0.622850D+01 -0.331853D+00  0.880031D+01 -0.232674D+02
                51            52            53            54            55 
      1  -0.105464D+02 -0.581251D+00  0.996639D+00 -0.149965D+00 -0.982242D+00
      2   0.553925D+01  0.348735D+01  0.597355D+01 -0.346904D+00  0.518237D-01
      3  -0.142335D-01 -0.935922D+00 -0.299179D-02 -0.569115D+01 -0.524956D+01
                56            57            58            59            60 
      1  -0.865491D+00  0.259433D+01 -0.401860D+00 -0.572732D+00 -0.366026D+01
      2   0.819720D+00  0.893237D+01  0.164556D+01 -0.203855D+00 -0.117464D+01
      3  -0.167860D+02 -0.402787D+00 -0.132807D+02 -0.754648D+01  0.260686D+00
                61            62            63            64            65 
      1   0.605507D+00  0.210374D+01 -0.502343D+00  0.454479D+00 -0.681339D+00
      2   0.715007D+01 -0.148202D+01 -0.288385D+01  0.200739D+01 -0.340222D+00
      3   0.186975D+00  0.166287D+01  0.252466D+01  0.254463D+00 -0.176233D+00
                66            67            68            69            70 
      1   0.114611D+00 -0.366735D+00 -0.394084D+00 -0.149498D+00  0.215378D+00
      2  -0.256547D+00 -0.489197D+00  0.752916D+00 -0.276524D+00 -0.319961D+01
      3  -0.292229D+00  0.178923D+01  0.816181D-01 -0.128153D+00 -0.562494D-01
                71            72            73            74            75 
      1   0.271431D+01  0.104885D+01  0.946768D+00 -0.104988D+01 -0.121244D+01
      2   0.110670D-01  0.323129D+01  0.192367D+01  0.776225D+00  0.230389D+01
      3  -0.554304D+00  0.522259D+00  0.102670D+01 -0.189278D+01 -0.144629D+01
                76            77            78            79            80 
      1  -0.763923D+00  0.106585D+00 -0.196426D-02 -0.202462D+01  0.147547D+01
      2  -0.735282D-01  0.103378D+01  0.241644D+00 -0.449250D+01 -0.883216D+00
      3  -0.394925D-01  0.435706D+00 -0.372765D+00 -0.329866D+01 -0.268316D+00
                81            82            83            84            85 
      1   0.654924D+01 -0.100958D+01 -0.413385D+00 -0.815087D+00 -0.766757D+00
      2   0.396869D+01 -0.667743D-01  0.804591D+00  0.187342D+01  0.910646D+00
      3   0.369984D+01  0.237975D+01 -0.189676D+00 -0.805225D-01  0.557436D+01
                86            87            88            89            90 
      1  -0.355124D+01 -0.281685D+01 -0.951363D+00 -0.111628D+01 -0.163009D+00
      2   0.135658D+01 -0.346696D+00 -0.658055D+00 -0.266040D+00 -0.578102D+00
      3   0.646915D+01  0.967964D+00  0.228415D+01  0.173287D+01  0.143766D+01
                91            92            93            94            95 
      1   0.788700D+00  0.633809D+00  0.890270D+00  0.582944D+00  0.867064D+00
      2  -0.793873D+00 -0.795819D+00 -0.142298D+01 -0.596650D+00 -0.979427D+00
      3   0.934746D+01  0.959321D+01  0.754350D-01  0.128154D+02  0.167100D+02
                96            97            98            99           100 
      1  -0.102853D+01  0.889923D+00  0.113177D+01  0.926549D-01  0.203982D+01
      2  -0.228057D+01 -0.192853D+01 -0.167726D+01 -0.545019D-01  0.139062D+01
      3   0.589860D+00 -0.340116D+00 -0.431591D+00 -0.310895D-01  0.678112D+01
               101           102           103           104           105 
      1   0.181980D+01 -0.336208D+01  0.191619D+01  0.229986D+01 -0.301393D+01
      2  -0.132280D+00 -0.204928D+00  0.182371D+00  0.478099D+00  0.640425D+00
      3   0.319223D+01 -0.210256D+01  0.656066D+01  0.460809D+01 -0.235738D+01
               106           107           108           109           110 
      1  -0.304385D+01 -0.200099D+01  0.335771D+01 -0.144381D+01 -0.503225D+00
      2  -0.197307D+01  0.142780D+00 -0.409160D+00 -0.171151D+01  0.206480D+00
      3  -0.564394D+01 -0.299127D+01  0.316199D+01  0.214492D+01  0.763841D+00
               111           112           113           114           115 
      1  -0.319105D+01 -0.390343D+00 -0.168295D+01 -0.210004D+01 -0.386642D+01
      2  -0.604866D+00  0.781237D-01 -0.262151D+00  0.572068D+00 -0.297171D+01
      3   0.133894D+01  0.191974D+01  0.501536D+00  0.856345D+00  0.416946D+01
               116           117           118           119           120 
      1  -0.161278D+01 -0.104735D+02  0.474780D+00  0.256288D+00  0.154328D+01
      2  -0.241246D+00 -0.189743D+01  0.497377D+01 -0.245804D+01  0.620865D+01
      3   0.130039D+01  0.452733D+01  0.827770D+01 -0.108610D+02  0.195598D+01
               121           122           123           124           125 
      1  -0.544105D+00 -0.340913D+00 -0.367554D+01  0.195135D+00  0.971338D+00
      2  -0.421324D+01  0.623617D+01 -0.728800D+01  0.266207D+01 -0.251940D+01
      3  -0.980844D+01  0.164407D+02 -0.551058D+01  0.364086D+01 -0.830856D+01
               126 
      1   0.114169D+01
      2   0.253850D+01
      3   0.237366D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.477699D+02 -0.561487D+01  0.254092D+01 -0.112981D+02  0.922842D+01
      2   0.262631D+02  0.326651D+01 -0.334826D+01  0.606949D+01 -0.121128D+02
      3   0.215068D+02  0.234836D+01  0.807338D+00  0.522861D+01  0.288440D+01
      4  -0.473626D+01 -0.679164D+01 -0.265164D+01  0.736195D+01  0.228249D+01
      5   0.720637D+01 -0.195145D+01 -0.113534D+02  0.452095D+01  0.174695D+01
      6  -0.359521D+01  0.207603D+01 -0.152075D+01  0.102805D+01 -0.419941D+01
                 6             7             8             9            10 
      1   0.674140D+01  0.709165D+01  0.565112D+01  0.170446D+02  0.702082D+02
      2  -0.598073D+01 -0.774306D+01 -0.567098D+01 -0.192768D+01 -0.412573D+02
      3  -0.760672D+00  0.651410D+00  0.198607D-01 -0.151169D+02 -0.289509D+02
      4   0.137057D+01  0.321541D+01  0.598645D+01  0.147368D+01  0.293820D+02
      5  -0.431875D+01  0.820047D+01  0.226736D+01 -0.502840D+01 -0.179206D+02
      6   0.273064D+01 -0.291224D+01  0.148078D+01  0.588252D+01  0.429371D+01
                11            12            13            14            15 
      1   0.280977D+02 -0.161691D+02  0.395370D+02 -0.111077D+02  0.542089D+00
      2  -0.142159D+02  0.645262D+01 -0.199322D+02  0.128396D+02  0.274661D+01
      3  -0.138818D+02  0.971647D+01 -0.196048D+02 -0.173190D+01 -0.328870D+01
      4   0.685742D+01  0.769676D+01  0.921409D+01  0.321816D+02 -0.165386D+02
      5   0.677378D+01  0.224413D+02  0.730930D+01 -0.160409D+02  0.109489D+02
      6  -0.192378D+01  0.506271D+00 -0.348430D+01  0.827819D+01  0.155468D+02
                16            17            18            19            20 
      1  -0.201796D+02 -0.468960D+00 -0.337034D+01 -0.257485D+01 -0.121277D+01
      2   0.884277D+01 -0.606838D+00 -0.185229D+02  0.405097D+01 -0.347326D-01
      3   0.113368D+02  0.107580D+01  0.218932D+02 -0.147612D+01  0.124750D+01
      4   0.848843D+01 -0.182396D+02  0.568875D+01 -0.460873D+01  0.447236D+01
      5   0.292072D+02  0.680639D+01 -0.462726D+01  0.107395D+01  0.568612D+00
      6   0.634390D+00  0.125386D+02  0.717819D+01  0.661834D+00 -0.188244D+01
                21            22            23            24            25 
      1  -0.738320D+00  0.552209D+01  0.386478D+01  0.109860D+01 -0.649219D+01
      2  -0.730234D+00 -0.227497D+01 -0.746362D+01 -0.423809D+00  0.299084D+01
      3   0.146855D+01 -0.324712D+01  0.359884D+01 -0.674792D+00  0.350135D+01
      4   0.290848D+00 -0.814707D+01  0.727523D+01  0.803326D+00 -0.121563D+01
      5   0.148443D+01  0.623603D+00  0.141150D+01  0.434082D+01 -0.144536D+01
      6   0.282172D-01 -0.165079D+01 -0.772626D-02 -0.296137D+01  0.478926D+00
                26            27            28            29            30 
      1   0.107944D+01  0.664527D+01  0.167005D+02  0.502657D+01  0.873670D+00
      2  -0.350975D+01  0.919440D+01 -0.125388D+02 -0.812839D+01  0.254653D+01
      3   0.243031D+01 -0.158397D+02 -0.416171D+01  0.310183D+01 -0.342020D+01
      4  -0.138725D+01  0.531991D+00 -0.438856D+01 -0.197556D+01  0.157024D+01
      5  -0.538722D+00 -0.245822D+01  0.156301D+00  0.804294D+00  0.452005D+01
      6   0.722010D+00  0.125405D+01  0.312442D+01  0.263622D+01 -0.100498D+02
                31            32            33            34            35 
      1   0.258462D+01 -0.155017D+02 -0.287809D+01 -0.146570D+01 -0.205525D+01
      2  -0.803104D+01  0.252770D+02  0.524054D+01  0.360020D+01  0.627771D+01
      3   0.544643D+01 -0.977533D+01 -0.236245D+01 -0.213449D+01 -0.422246D+01
      4   0.321323D+01 -0.123266D+02  0.492189D+00  0.231002D+01  0.153645D+01
      5   0.490338D+00 -0.480706D+00 -0.317960D+01  0.379345D+01 -0.289268D+01
      6   0.255330D+01  0.610936D+01  0.147964D+01 -0.112511D+02 -0.127260D+01
                36            37            38            39            40 
      1   0.321869D+01 -0.522932D+01  0.110403D+02  0.283477D+00 -0.774662D+00
      2  -0.234581D+01  0.943270D+00 -0.105660D+02 -0.258477D+01 -0.342842D+01
      3  -0.872882D+00  0.428605D+01 -0.474383D+00  0.230129D+01  0.420308D+01
      4  -0.838526D+01  0.580949D+01 -0.134122D+02 -0.132749D+01 -0.213272D+02
      5   0.108300D+00 -0.305301D+00 -0.210032D+01 -0.803634D+01 -0.366522D+01
      6  -0.824385D+01 -0.449279D+00 -0.569031D+00  0.118826D+01 -0.847052D+00
                41            42            43            44            45 
      1   0.644739D+01  0.555598D+00  0.348611D+01 -0.219360D+01 -0.484580D+01
      2  -0.175978D+02  0.848565D+00 -0.358680D+01  0.590862D+00 -0.604913D+01
      3   0.111504D+02 -0.140416D+01  0.100689D+00  0.160274D+01  0.108949D+02
      4  -0.287457D+02 -0.103818D+01 -0.186725D+01  0.134703D+01 -0.212975D+01
      5  -0.187475D+01 -0.335513D+01  0.221239D+01 -0.177751D+01  0.379947D+01
      6  -0.212798D+01 -0.125222D+02 -0.327640D+00  0.332985D+01 -0.935214D+00
                46            47            48            49            50 
      1   0.128905D+02  0.742464D+01  0.127929D+00  0.102219D+02 -0.215969D+02
      2  -0.217704D+01  0.201066D+01  0.297845D+00  0.236341D+01  0.418107D+02
      3  -0.107135D+02 -0.943530D+01 -0.425773D+00 -0.125853D+02 -0.202138D+02
      4   0.210134D+02  0.247710D+02  0.151698D+01  0.266157D+02  0.566182D+02
      5   0.164748D+01  0.182024D+01  0.906598D+01  0.207846D+01  0.290847D+01
      6   0.941349D+00  0.819460D+00  0.375121D+01  0.164035D+01  0.245586D+01
                51            52            53            54            55 
      1  -0.139875D+01 -0.116148D+00 -0.859798D+00 -0.358717D+01  0.544770D+02
      2   0.346147D+00  0.642686D+00 -0.146996D-01  0.281866D+01 -0.321256D+02
      3   0.105260D+01 -0.526538D+00  0.874498D+00  0.768510D+00 -0.223514D+02
      4   0.205365D+01  0.593876D+00  0.451010D+00  0.135451D+02 -0.205758D+02
      5   0.111667D+02  0.102718D+02  0.136288D+02  0.130663D+01 -0.313732D+01
      6   0.163920D+02  0.456291D+01  0.141349D+02  0.137682D+01  0.599957D+00
                56            57            58            59            60 
      1  -0.870180D+01 -0.139654D+01  0.599809D+01  0.124543D+02 -0.699100D+00
      2   0.244683D+01  0.213068D+01 -0.700526D+01 -0.458718D+01 -0.412008D-01
      3   0.625497D+01 -0.734135D+00  0.100717D+01 -0.786714D+01  0.740301D+00
      4   0.203184D+02  0.154532D+01  0.198195D+02 -0.429289D+01 -0.116960D+01
      5   0.118411D+01  0.167688D+02 -0.179565D+00 -0.135108D+01 -0.401608D+01
      6  -0.220095D+00 -0.442986D+01 -0.836699D+00  0.457930D+00  0.732630D+01
                61            62            63            64            65 
      1  -0.196345D+01  0.907672D+00  0.668655D+01  0.112079D+01  0.331371D+00
      2   0.219969D+01 -0.250372D+00 -0.876827D+01 -0.382231D+01 -0.148019D+00
      3  -0.236234D+00 -0.657300D+00  0.208172D+01  0.270152D+01 -0.183352D+00
      4   0.137452D+01 -0.149645D+01 -0.631413D+01 -0.302313D-01  0.409194D+00
      5   0.161886D+02 -0.701754D+01 -0.555672D+01 -0.345747D+00 -0.242884D+00
      6  -0.216435D+01  0.509998D+01  0.105587D+01 -0.309989D+00  0.252852D+00
                66            67            68            69            70 
      1   0.771253D+00  0.234212D+00 -0.448766D+01 -0.714012D-01  0.148379D+01
      2   0.704736D+00  0.507407D+00  0.716406D+00 -0.847616D+00  0.700972D+00
      3  -0.147599D+01 -0.741619D+00  0.377125D+01  0.919017D+00 -0.218476D+01
      4  -0.356353D+00  0.222367D+01 -0.841282D+00  0.369387D+00  0.100013D+01
      5   0.390759D+01  0.146265D+00  0.785907D-01 -0.330954D+00  0.386499D+01
      6   0.173479D+00  0.287693D+00  0.377476D+00  0.620744D+01  0.191217D+00
                71            72            73            74            75 
      1   0.159642D+01 -0.179924D+02  0.217547D+01 -0.325210D+00  0.356706D+01
      2  -0.102227D+01 -0.128731D+02 -0.439470D+01  0.144115D-01  0.791068D+00
      3  -0.574145D+00  0.308656D+02  0.221923D+01  0.310798D+00 -0.435813D+01
      4   0.893407D+00 -0.378381D+00  0.282287D+00  0.272896D+01 -0.700300D+00
      5   0.117826D+00  0.243479D+01 -0.196411D+01  0.161578D+00  0.756872D+01
      6   0.381494D+01 -0.270520D+01 -0.643570D+00 -0.895794D+00  0.142929D+01
                76            77            78            79            80 
      1   0.266389D+01 -0.521942D+01  0.183335D+01  0.119913D+02  0.564142D+01
      2  -0.817608D+00  0.260021D+01 -0.141188D+01 -0.167812D+01 -0.973562D+00
      3  -0.184629D+01  0.261921D+01 -0.421467D+00 -0.103132D+02 -0.466786D+01
      4   0.152161D+00 -0.188005D+00  0.692867D+00 -0.188920D+01 -0.424652D-01
      5  -0.502188D+00  0.667205D+00  0.232949D+00  0.131195D+01 -0.276774D+01
      6  -0.107826D+01 -0.233937D+01  0.491864D+01  0.278747D+01  0.568912D+01
                81            82            83            84            85 
      1  -0.264029D+02  0.236249D+01 -0.119712D+01 -0.284591D+00 -0.856382D+01
      2  -0.622251D+01  0.116089D+01  0.149546D+01  0.101632D+01  0.785231D+01
      3   0.326254D+02 -0.352339D+01 -0.298333D+00 -0.731730D+00  0.711512D+00
      4  -0.119686D+01  0.122564D+01  0.533530D+01  0.135656D+01  0.199967D+01
      5   0.472512D+01  0.256923D+00  0.748842D+00  0.244404D+01 -0.426778D+00
      6  -0.123167D+02  0.150826D+01  0.110596D+00  0.157598D+00 -0.599745D-01
                86            87            88            89            90 
      1  -0.211041D+02 -0.763209D+00 -0.460588D+01 -0.389536D+01 -0.507276D+01
      2   0.298668D+02  0.254718D+01  0.394770D+01  0.521123D+01  0.309247D+01
      3  -0.876266D+01 -0.178398D+01  0.658188D+00 -0.131587D+01  0.198029D+01
      4  -0.755888D+01  0.166965D+00  0.555052D+00 -0.207077D+01 -0.837134D+00
      5  -0.129621D+00 -0.612773D+00  0.484388D+00 -0.109821D+01 -0.845070D+00
      6   0.665153D+00  0.380945D+01  0.126480D+01  0.509015D+01  0.102310D+01
                91            92            93            94            95 
      1  -0.143800D+02 -0.404223D+01  0.143790D+00 -0.161948D+02 -0.663414D+01
      2   0.112385D+02  0.103815D+01 -0.126564D+00  0.868275D+01  0.979775D+01
      3   0.314152D+01  0.300408D+01 -0.172265D-01  0.751202D+01 -0.316361D+01
      4  -0.237963D+01 -0.122181D+01 -0.427017D+00  0.671507D+01 -0.182722D+02
      5   0.100246D+01  0.175113D+00 -0.173493D+01  0.134737D+01 -0.339195D+00
      6  -0.215760D+00 -0.431176D-01 -0.179004D+01 -0.271179D+00  0.731314D+00
                96            97            98            99           100 
      1   0.171559D+00  0.764503D+00 -0.111118D+00 -0.720222D+00 -0.203049D+01
      2  -0.646456D-01 -0.429796D+00  0.422762D-02  0.124942D+00  0.526111D+01
      3  -0.106913D+00 -0.334707D+00  0.106890D+00  0.595279D+00 -0.323062D+01
      4  -0.928043D+00  0.259966D-01 -0.268138D+00 -0.251750D+01  0.598558D+01
      5  -0.402039D+01  0.296939D+01 -0.229185D+01 -0.337923D+00 -0.196093D+01
      6   0.159906D+01 -0.157741D+01  0.250922D+01  0.234580D+00 -0.489811D+01
               101           102           103           104           105 
      1  -0.731292D+01  0.186718D+01 -0.524948D+01 -0.102016D+02  0.350459D+01
      2   0.113194D+02 -0.332906D+01  0.801775D+01  0.161814D+02 -0.571453D+01
      3  -0.400651D+01  0.146188D+01 -0.276827D+01 -0.597981D+01  0.220994D+01
      4   0.826137D+01 -0.331027D+01  0.817568D+01  0.681808D+01 -0.332085D+01
      5  -0.179959D+01  0.190321D+01 -0.521095D+00 -0.177956D+01  0.161351D+01
      6  -0.553116D+01  0.603651D+01 -0.460266D+01 -0.778911D+01  0.656419D+01
               106           107           108           109           110 
      1   0.283299D+01  0.645029D+01 -0.630472D+01 -0.137914D+01 -0.322529D+01
      2  -0.373148D+01 -0.787287D+01  0.423504D+01  0.856869D+00  0.365587D+01
      3   0.898491D+00  0.142258D+01  0.206968D+01  0.522271D+00 -0.430584D+00
      4  -0.486372D+01 -0.404035D+01  0.440989D+01  0.113763D+01  0.338502D+01
      5   0.202576D+01  0.185294D+01 -0.241188D+01  0.148487D+01  0.936348D+00
      6   0.578134D+01  0.943110D+01 -0.804606D+01  0.251885D+01  0.336251D+01
               111           112           113           114           115 
      1  -0.246004D+01 -0.714419D+00 -0.367210D+01 -0.233055D+01 -0.158613D+01
      2   0.968809D+00  0.117051D+01  0.404610D+01  0.270999D+01 -0.273981D+00
      3   0.149123D+01 -0.456096D+00 -0.373998D+00 -0.379442D+00  0.186011D+01
      4   0.214210D+01  0.372210D+01  0.264896D+01  0.210207D+01  0.439851D+01
      5   0.187457D+01  0.256028D+00  0.138490D+01  0.180293D+01  0.226479D+01
      6   0.596938D+01  0.229610D+01  0.347486D+01  0.595950D+01  0.614426D+01
               116           117           118           119           120 
      1  -0.590230D+01 -0.971930D+01  0.372810D+02 -0.210413D+02  0.950525D+01
      2   0.445065D+01 -0.104294D+01 -0.153851D+02  0.822210D+01 -0.410570D+01
      3   0.145165D+01  0.107622D+02 -0.218959D+02  0.128192D+02 -0.539956D+01
      4   0.222475D+01  0.430863D+01 -0.286815D+02  0.243845D+02 -0.705016D+01
      5   0.135738D+01  0.211720D+01  0.117796D+02 -0.678309D+01  0.106087D+02
      6   0.828609D+01  0.187121D+02 -0.353647D+01  0.180775D+01 -0.144975D+01
               121           122           123           124           125 
      1  -0.235901D+02  0.158488D+02 -0.650315D+01  0.944280D+01 -0.603702D+01
      2   0.607298D+01  0.198861D+01  0.439493D+00 -0.479759D+01  0.318959D+01
      3   0.175171D+02 -0.178374D+02  0.606365D+01 -0.464521D+01  0.284743D+01
      4   0.331506D+02 -0.361638D+02  0.139182D+02 -0.121262D+02  0.151060D+02
      5  -0.114775D+02  0.137982D+02 -0.102721D+02  0.115392D+02 -0.821113D+01
      6   0.399938D+01 -0.579098D+01  0.441262D+01 -0.417729D+01  0.666815D+01
               126 
      1   0.344539D+01
      2  -0.268830D+01
      3  -0.757095D+00
      4  -0.819901D+01
      5   0.574793D+01
      6  -0.417463D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:16:51 2021, MaxMem=  5368709120 cpu:            8902.9 elap:            1114.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.46051 -19.51747 -19.46645 -14.65084 -10.57968
 Alpha  occ. eigenvalues --  -10.51292 -10.49060  -8.12782  -6.12019  -6.11733
 Alpha  occ. eigenvalues --   -6.11184  -1.25346  -1.16303  -1.07543  -0.94884
 Alpha  occ. eigenvalues --   -0.86629  -0.77359  -0.73382  -0.68811  -0.64623
 Alpha  occ. eigenvalues --   -0.61323  -0.58710  -0.57271  -0.55874  -0.54497
 Alpha  occ. eigenvalues --   -0.50334  -0.48939  -0.45170  -0.43760  -0.42892
 Alpha  occ. eigenvalues --   -0.38234  -0.35997
 Alpha virt. eigenvalues --   -0.01892  -0.00684  -0.00289   0.00624   0.01835
 Alpha virt. eigenvalues --    0.02406   0.02490   0.04161   0.05578   0.06661
 Alpha virt. eigenvalues --    0.07247   0.08066   0.08514   0.09219   0.09543
 Alpha virt. eigenvalues --    0.10482   0.11289   0.11714   0.12311   0.12984
 Alpha virt. eigenvalues --    0.13268   0.13819   0.14687   0.15056   0.16408
 Alpha virt. eigenvalues --    0.17095   0.17892   0.19285   0.20042   0.22019
 Alpha virt. eigenvalues --    0.22683   0.23524   0.24833   0.24935   0.25719
 Alpha virt. eigenvalues --    0.25929   0.26677   0.27397   0.28052   0.30127
 Alpha virt. eigenvalues --    0.30930   0.31660   0.32613   0.33748   0.34716
 Alpha virt. eigenvalues --    0.36099   0.36646   0.36965   0.38890   0.39566
 Alpha virt. eigenvalues --    0.39693   0.40546   0.41143   0.41986   0.43862
 Alpha virt. eigenvalues --    0.44700   0.45660   0.46505   0.47055   0.48255
 Alpha virt. eigenvalues --    0.48378   0.49166   0.50895   0.51739   0.52380
 Alpha virt. eigenvalues --    0.53587   0.55154   0.55992   0.56753   0.56984
 Alpha virt. eigenvalues --    0.59014   0.59797   0.60006   0.61543   0.62739
 Alpha virt. eigenvalues --    0.64059   0.65152   0.66402   0.67517   0.68835
 Alpha virt. eigenvalues --    0.69366   0.69706   0.72524   0.73666   0.74391
 Alpha virt. eigenvalues --    0.75819   0.76641   0.77905   0.80317   0.82141
 Alpha virt. eigenvalues --    0.82908   0.84258   0.86516   0.87388   0.88410
 Alpha virt. eigenvalues --    0.90613   0.91579   0.94220   0.95023   0.95977
 Alpha virt. eigenvalues --    0.98765   0.99166   1.02664   1.03405   1.03969
 Alpha virt. eigenvalues --    1.05304   1.07709   1.08404   1.11038   1.12320
 Alpha virt. eigenvalues --    1.13408   1.14965   1.16896   1.17903   1.18669
 Alpha virt. eigenvalues --    1.19852   1.22065   1.23015   1.24364   1.29833
 Alpha virt. eigenvalues --    1.31427   1.32149   1.34494   1.34766   1.38446
 Alpha virt. eigenvalues --    1.41742   1.45044   1.47326   1.50706   1.54487
 Alpha virt. eigenvalues --    1.57608   1.58373   1.60428   1.63169   1.65710
 Alpha virt. eigenvalues --    1.67586   1.70432   1.71890   1.74628   1.75892
 Alpha virt. eigenvalues --    1.77188   1.80009   1.80667   1.84234   1.88282
 Alpha virt. eigenvalues --    1.89219   1.91310   1.93806   1.95998   1.97526
 Alpha virt. eigenvalues --    1.97842   2.04645   2.05483   2.07791   2.10459
 Alpha virt. eigenvalues --    2.12175   2.14998   2.16038   2.17569   2.19371
 Alpha virt. eigenvalues --    2.21218   2.22789   2.26814   2.30117   2.32080
 Alpha virt. eigenvalues --    2.32692   2.35307   2.41390   2.42302   2.46807
 Alpha virt. eigenvalues --    2.51901   2.57727   2.57976   2.66053   2.67617
 Alpha virt. eigenvalues --    2.70231   2.74947   2.79677   2.83785   2.89068
 Alpha virt. eigenvalues --    2.99184   3.03532   3.06863   3.15895   3.35185
 Alpha virt. eigenvalues --    3.37022   3.43125   3.45035   3.48150   3.50780
 Alpha virt. eigenvalues --    3.53147   3.54609   3.63131   3.76320   3.85150
 Alpha virt. eigenvalues --    4.00248
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.046440   0.388176   0.395454  -0.101516  -0.285887   0.007522
     2  S    0.388176  15.375985  -0.120829   0.026613  -0.065326   0.007102
     3  C    0.395454  -0.120829   6.352160   0.390380  -1.134150  -0.038546
     4  N   -0.101516   0.026613   0.390380   6.237724  -0.106508   0.003196
     5  C   -0.285887  -0.065326  -1.134150  -0.106508   7.056023   0.629153
     6  O    0.007522   0.007102  -0.038546   0.003196   0.629153   7.680701
     7  O   -0.016019   0.002782   0.153592  -0.017150   0.042266  -0.062840
     8  H   -0.091559  -0.011197  -0.067540   0.005600  -0.159249  -0.000349
     9  H    0.260283  -0.166401  -0.062482  -0.083243   0.005211   0.007045
    10  H    0.133861  -0.100547   0.114350   0.029026  -0.084991  -0.020361
    11  H    0.005990  -0.005217  -0.154112   0.080867   0.000223   0.008736
    12  H    0.014407  -0.015141   0.088512   0.231252  -0.034572   0.001465
    13  H   -0.130497  -0.010460  -0.102173   0.408932   0.059280   0.001798
    14  H    0.010510   0.261362   0.024734  -0.002344   0.003796   0.000334
               7          8          9         10         11         12
     1  C   -0.016019  -0.091559   0.260283   0.133861   0.005990   0.014407
     2  S    0.002782  -0.011197  -0.166401  -0.100547  -0.005217  -0.015141
     3  C    0.153592  -0.067540  -0.062482   0.114350  -0.154112   0.088512
     4  N   -0.017150   0.005600  -0.083243   0.029026   0.080867   0.231252
     5  C    0.042266  -0.159249   0.005211  -0.084991   0.000223  -0.034572
     6  O   -0.062840  -0.000349   0.007045  -0.020361   0.008736   0.001465
     7  O    7.874287   0.006121  -0.006683   0.007632   0.249395   0.008456
     8  H    0.006121   1.522460   0.095326  -0.046306  -0.004327  -0.105236
     9  H   -0.006683   0.095326   1.480483  -0.264101   0.000952  -0.001216
    10  H    0.007632  -0.046306  -0.264101   1.586300  -0.000830   0.000050
    11  H    0.249395  -0.004327   0.000952  -0.000830   0.660885   0.001238
    12  H    0.008456  -0.105236  -0.001216   0.000050   0.001238   0.913687
    13  H   -0.004786   0.036033  -0.001474   0.003644  -0.009536  -0.167576
    14  H    0.000009  -0.004151  -0.038510  -0.060522   0.000438  -0.001561
              13         14
     1  C   -0.130497   0.010510
     2  S   -0.010460   0.261362
     3  C   -0.102173   0.024734
     4  N    0.408932  -0.002344
     5  C    0.059280   0.003796
     6  O    0.001798   0.000334
     7  O   -0.004786   0.000009
     8  H    0.036033  -0.004151
     9  H   -0.001474  -0.038510
    10  H    0.003644  -0.060522
    11  H   -0.009536   0.000438
    12  H   -0.167576  -0.001561
    13  H    0.872071  -0.003433
    14  H   -0.003433   0.857490
 Mulliken charges:
               1
     1  C    0.362834
     2  S    0.433099
     3  C    0.160650
     4  N   -0.102829
     5  C    0.074730
     6  O   -0.224957
     7  O   -0.237062
     8  H   -0.175625
     9  H   -0.225191
    10  H   -0.297206
    11  H    0.165298
    12  H    0.066235
    13  H    0.048178
    14  H   -0.048152
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.159564
     2  S    0.384946
     3  C   -0.014976
     4  N    0.011584
     5  C    0.074730
     6  O   -0.224957
     7  O   -0.071764
 Electronic spatial extent (au):  <R**2>=           1123.2011
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.2137    Y=              2.4483    Z=              0.5085  Tot=              4.0719
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -60.4737   YY=            -49.4343   ZZ=            -47.6645
   XY=             -7.1820   XZ=              1.9052   YZ=             -1.3024
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.9495   YY=              3.0898   ZZ=              4.8597
   XY=             -7.1820   XZ=              1.9052   YZ=             -1.3024
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             19.9751  YYY=             14.2177  ZZZ=              2.0515  XYY=              9.6990
  XXY=              0.0864  XXZ=              2.7120  XZZ=             -7.2230  YZZ=              2.9141
  YYZ=              1.1716  XYZ=             -3.4389
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1094.9594 YYYY=           -302.4902 ZZZZ=            -80.4170 XXXY=            -50.8914
 XXXZ=             14.1329 YYYX=            -17.4948 YYYZ=             -2.3717 ZZZX=              3.8914
 ZZZY=              0.5131 XXYY=           -229.5841 XXZZ=           -199.8888 YYZZ=            -60.5465
 XXYZ=            -10.2895 YYXZ=             -1.1722 ZZXY=              1.4292
 N-N= 3.753095290542D+02 E-N=-2.453559941684D+03  KE= 7.184090575867D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:16:52 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.21607776D+00 9.86678596D-01 1.93886885D-01
 Polarizability= 8.45435484D+01-5.18949529D-01 6.92905829D+01
                -1.26238138D+00-1.20960886D+00 5.15915402D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.5117    0.5130       -0.2896   -0.2823
 2     -0.5117   -0.5130       -0.1546   -0.1478       -7.6546   -7.6834
 3      0.2896    0.2823       15.6704   15.7132        0.1420    0.1478
 4      0.1546    0.1478       -0.0000    0.0000        0.2803    0.2823
 5     -8.0158   -8.0298       -0.2803   -0.2823        0.5080    0.5130
 6     -0.1420   -0.1478       -0.5080   -0.5130        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.5391   -1.5391       -0.8470   -0.8470
 2      0.4434    0.4434       -0.0000    0.0000       -0.8470   -0.8470
 3      0.4434    0.4434       -1.5391   -1.5391        0.0000    0.0000
 4     -1.5391   -1.5391       -0.4434   -0.4434      -23.0502  -23.0502
 5      0.8470    0.8470       47.1397   47.1397        0.4434    0.4434
 6    -24.0895  -24.0895       -0.8470   -0.8470        1.5391    1.5391
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1195    0.0000       -2.0647   -2.0521        0.8433    1.1293
 2      1.5046    2.0521        0.6136    0.5912       30.4707   30.7336
 3     -1.4252   -1.1293      -63.9945  -62.8529       -0.3776   -0.5912
 4     -0.4210   -0.5912        0.2408    0.0000       -1.4083   -1.1293
 5     32.6886   32.1193        1.7856    1.1293       -2.0821   -2.0521
 6      0.8264    0.5912        2.6007    2.0521       -0.3949    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1689    0.0000        3.9447    3.8134       -0.3121   -0.3661
 2     -3.9633   -3.8134       20.5597   21.8865        2.6919    2.0343
 3      1.0715    0.3661        2.3041    2.6510      -21.9706  -21.8865
 4    -20.9082  -21.8865        0.7326    0.0000        0.1320    0.3661
 5     -3.8931   -4.6853       -0.8125   -0.3661        2.8313    3.8134
 6     20.7557   21.8865       -4.6472   -3.8134        0.1585    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -15.8218  -16.1105       12.7913   12.1856        3.6250    3.0388
 2    -47.9202  -49.3211       12.3513   10.4835        3.2389    3.0388
 3    -47.9250  -49.3211       14.2859   12.1856        2.7000    2.4026
 4      1.1002    1.7021       32.2992   33.2106        2.0858    1.7853
 5      0.3801   -0.6362       11.0020   11.2465      -33.2268  -33.2106
 6    -12.1445  -13.0317        1.0628    0.6362       -2.8785   -1.7021
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6402   -1.7210   -0.0022    0.0019    0.0022    2.8376
 Low frequencies ---   57.7823   85.9710  149.5115
 Diagonal vibrational polarizability:
       30.3231678      35.5794663      59.7040582
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     57.7814                85.9707               149.5113
 Red. masses --      4.0156                 3.4105                 1.1495
 Frc consts  --      0.0079                 0.0149                 0.0151
 IR Inten    --      1.3810                15.1257                11.7826
 RamAct Fr= 1--      0.3573                 0.1625                 1.3288
  Dep-P Fr= 1--      0.7342                 0.7373                 0.6255
  Dep-U Fr= 1--      0.8467                 0.8488                 0.7696
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0030
 Beta2  Fr= 1--      0.0504                 0.0230                 0.1705
 AlphaG Fr= 1--     -0.0010                 0.0001                -0.0031
 Gamma2 Fr= 1--      0.2357                 0.1803                 0.0767
 Delta2 Fr= 1--      0.1104                 0.0813                 0.0148
 Raman1 Fr= 1--       1.429                  0.650                  5.315
 ROA1   Fr= 1--      26.157                 19.907                  7.838
 CID1   Fr= 1--      18.302                 30.633                  1.475
 Raman2 Fr= 1--       0.605                  0.276                  2.045
 ROA2   Fr= 1--       4.773                  3.676                  1.722
 CID2   Fr= 1--       7.889                 13.327                  0.842
 Raman3 Fr= 1--       1.210                  0.552                  4.091
 ROA3   Fr= 1--      26.157                 19.907                  7.838
 CID3   Fr= 1--      21.616                 36.091                  1.916
 RC180  Fr= 1--       0.693                  0.698                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04     0.00   0.15   0.21     0.01  -0.05  -0.05
     2  16    -0.01  -0.00   0.06     0.01  -0.12  -0.11    -0.01   0.01  -0.02
     3   6    -0.01  -0.02  -0.09     0.01   0.08   0.10     0.00  -0.02  -0.01
     4   7     0.01   0.01  -0.21    -0.10   0.09   0.07     0.02  -0.03   0.03
     5   6    -0.00  -0.01  -0.02     0.02  -0.00  -0.02    -0.00  -0.00   0.00
     6   8    -0.04  -0.00  -0.21     0.08  -0.01  -0.10    -0.02   0.00   0.03
     7   8     0.07  -0.02   0.31    -0.04  -0.06  -0.04     0.02   0.02  -0.01
     8   1     0.01  -0.15  -0.07     0.10   0.05   0.11    -0.03   0.02  -0.02
     9   1    -0.07   0.15   0.04     0.11   0.43   0.22     0.01  -0.08  -0.05
    10   1    -0.02   0.01   0.14    -0.13   0.08   0.46     0.01  -0.04  -0.09
    11   1     0.09  -0.03   0.31    -0.08  -0.03   0.02     0.04   0.01  -0.00
    12   1    -0.24   0.01  -0.45    -0.14   0.12   0.05     0.03  -0.02   0.05
    13   1     0.31   0.12  -0.33    -0.09   0.13   0.06     0.04  -0.08   0.03
    14   1    -0.03   0.12   0.34    -0.01   0.15   0.49     0.08   0.49   0.84
                      4                      5                      6
                      A                      A                      A
 Frequencies --    173.0811               255.6427               282.7212
 Red. masses --      4.7350                10.9084                 1.1649
 Frc consts  --      0.0836                 0.4200                 0.0549
 IR Inten    --     12.4254                 2.8117                17.9164
 RamAct Fr= 1--      0.4340                 2.6947                 0.0854
  Dep-P Fr= 1--      0.7487                 0.2324                 0.7047
  Dep-U Fr= 1--      0.8563                 0.3772                 0.8268
 Alpha2 Fr= 1--      0.0000                 0.0335                 0.0001
 Beta2  Fr= 1--      0.0619                 0.1694                 0.0118
 AlphaG Fr= 1--     -0.0001                -0.0068                 0.0014
 Gamma2 Fr= 1--     -0.6141                 0.0742                -0.1289
 Delta2 Fr= 1--     -0.1787                 0.0118                -0.0428
 Raman1 Fr= 1--       1.736                 10.779                  0.342
 ROA1   Fr= 1--     -64.668                  7.497                -13.743
 CID1   Fr= 1--     -37.253                  0.696                -40.239
 Raman2 Fr= 1--       0.743                  2.033                  0.141
 ROA2   Fr= 1--     -13.308                  1.685                 -2.750
 CID2   Fr= 1--     -17.907                  0.829                -19.480
 Raman3 Fr= 1--       1.486                  4.065                  0.282
 ROA3   Fr= 1--     -64.668                  7.497                -13.743
 CID3   Fr= 1--     -43.507                  1.844                -48.669
 RC180  Fr= 1--       0.713                 -0.246                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05   0.25     0.18   0.11  -0.07    -0.00  -0.00  -0.02
     2  16    -0.06   0.13  -0.08     0.40  -0.01   0.02     0.01  -0.00   0.00
     3   6     0.05  -0.17   0.15    -0.07  -0.06   0.02    -0.01   0.01   0.02
     4   7     0.12  -0.14   0.04    -0.28  -0.05   0.01     0.03   0.01   0.06
     5   6    -0.03  -0.04   0.01    -0.19  -0.06   0.04    -0.01  -0.01   0.01
     6   8    -0.19  -0.00  -0.12    -0.41  -0.01  -0.02     0.00  -0.01   0.02
     7   8     0.07   0.09  -0.08    -0.08   0.07  -0.00    -0.02  -0.01  -0.06
     8   1     0.13  -0.27   0.16    -0.17  -0.03   0.00    -0.04   0.01   0.02
     9   1     0.18   0.13   0.26     0.26   0.12  -0.07     0.00  -0.05  -0.02
    10   1     0.14  -0.12   0.42     0.27   0.08  -0.02    -0.02   0.01  -0.06
    11   1     0.20   0.02   0.00     0.05   0.01   0.00     0.03  -0.03   0.17
    12   1     0.08  -0.20  -0.06    -0.35   0.04   0.02    -0.55   0.15  -0.36
    13   1     0.20  -0.07  -0.00    -0.32   0.00   0.02     0.67   0.06  -0.19
    14   1     0.19   0.18  -0.31     0.12  -0.14   0.12    -0.02  -0.03  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    352.0664               412.0506               525.2360
 Red. masses --      3.9563                 2.5607                 6.4353
 Frc consts  --      0.2889                 0.2562                 1.0460
 IR Inten    --     15.8941                 4.5872                 1.3518
 RamAct Fr= 1--      1.9646                 0.2788                 2.4492
  Dep-P Fr= 1--      0.1446                 0.7058                 0.7344
  Dep-U Fr= 1--      0.2527                 0.8276                 0.8468
 Alpha2 Fr= 1--      0.0308                 0.0002                 0.0007
 Beta2  Fr= 1--      0.0828                 0.0385                 0.3457
 AlphaG Fr= 1--      0.0229                -0.0012                -0.0057
 Gamma2 Fr= 1--     -0.2050                -0.4075                 0.7609
 Delta2 Fr= 1--     -0.1777                -0.0938                 0.4351
 Raman1 Fr= 1--       7.859                  1.115                  9.797
 ROA1   Fr= 1--     -25.369                -42.124                 86.967
 CID1   Fr= 1--      -3.228                -37.775                  8.877
 Raman2 Fr= 1--       0.993                  0.461                  4.148
 ROA2   Fr= 1--      -3.500                 -9.030                 14.781
 CID2   Fr= 1--      -3.524                -19.569                  3.563
 Raman3 Fr= 1--       1.986                  0.923                  8.296
 ROA3   Fr= 1--     -25.369                -42.124                 86.967
 CID3   Fr= 1--     -12.774                -45.646                 10.483
 RC180  Fr= 1--      -0.495                  0.655                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05  -0.00     0.06  -0.16  -0.00     0.00  -0.13   0.08
     2  16    -0.06  -0.01   0.01    -0.02  -0.01  -0.00     0.06   0.02  -0.01
     3   6     0.03  -0.03  -0.13     0.02  -0.01   0.19    -0.06  -0.17  -0.08
     4   7    -0.24  -0.06   0.09    -0.15   0.09  -0.09    -0.16  -0.29   0.00
     5   6     0.07  -0.04  -0.09     0.04   0.02   0.10    -0.04   0.22  -0.04
     6   8    -0.01  -0.04   0.07     0.04   0.02  -0.06     0.30   0.17  -0.02
     7   8     0.29   0.11  -0.00     0.05   0.05  -0.03    -0.19   0.14   0.05
     8   1     0.15   0.08  -0.11    -0.02  -0.08   0.19    -0.00  -0.26  -0.07
     9   1    -0.12   0.17  -0.01     0.15  -0.55   0.01     0.01   0.08   0.08
    10   1    -0.05   0.02   0.11     0.00  -0.03  -0.38     0.14  -0.20   0.27
    11   1     0.56  -0.01   0.02     0.09   0.03  -0.08    -0.17   0.14   0.14
    12   1    -0.50   0.23   0.09    -0.20   0.01  -0.21    -0.38  -0.07  -0.01
    13   1    -0.14  -0.13   0.06    -0.25   0.41  -0.10    -0.02  -0.36  -0.04
    14   1    -0.06  -0.08  -0.12     0.13   0.08  -0.02     0.14   0.06  -0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --    593.1435               698.1010               777.8703
 Red. masses --      3.5336                 5.8894                 5.3775
 Frc consts  --      0.7325                 1.6911                 1.9171
 IR Inten    --      9.3442                 8.2706                 2.3601
 RamAct Fr= 1--      1.8456                17.3546                 3.4671
  Dep-P Fr= 1--      0.2170                 0.1347                 0.5260
  Dep-U Fr= 1--      0.3566                 0.2375                 0.6894
 Alpha2 Fr= 1--      0.0240                 0.2788                 0.0151
 Beta2  Fr= 1--      0.1097                 0.6869                 0.3984
 AlphaG Fr= 1--      0.0245                 0.1348                 0.0038
 Gamma2 Fr= 1--      0.2925                 0.7147                -0.8911
 Delta2 Fr= 1--      0.2268                -0.1955                 0.0109
 Raman1 Fr= 1--       7.382                 69.418                 13.869
 ROA1   Fr= 1--      35.339                 62.356                -85.193
 CID1   Fr= 1--       4.787                  0.898                 -6.143
 Raman2 Fr= 1--       1.316                  8.242                  4.780
 ROA2   Fr= 1--       5.207                 18.716                -21.472
 CID2   Fr= 1--       3.956                  2.271                 -4.492
 Raman3 Fr= 1--       2.632                 16.485                  9.560
 ROA3   Fr= 1--      35.339                 62.356                -85.193
 CID3   Fr= 1--      13.425                  3.783                 -8.911
 RC180  Fr= 1--      -0.287                 -0.525                  0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.14  -0.10     0.29   0.17  -0.15     0.34   0.13  -0.05
     2  16     0.02   0.00   0.01    -0.13  -0.05   0.04    -0.10  -0.04   0.03
     3   6    -0.20  -0.04   0.09     0.14  -0.03  -0.05     0.07  -0.01   0.03
     4   7     0.04  -0.05  -0.01    -0.04  -0.14  -0.02     0.06   0.01  -0.00
     5   6    -0.05  -0.06   0.23     0.20   0.07   0.27    -0.23  -0.07  -0.18
     6   8     0.12  -0.10  -0.10    -0.10   0.17  -0.06     0.09  -0.17   0.03
     7   8     0.07   0.13  -0.06    -0.04  -0.12  -0.07    -0.13   0.20   0.07
     8   1    -0.56  -0.09   0.04    -0.22  -0.07  -0.10     0.25   0.06   0.05
     9   1    -0.03   0.21  -0.09     0.20   0.33  -0.16     0.38  -0.09  -0.04
    10   1    -0.03   0.10   0.01     0.26   0.10   0.07     0.43   0.15  -0.17
    11   1     0.32   0.01  -0.04    -0.32   0.01   0.09     0.25   0.02  -0.05
    12   1     0.26  -0.28  -0.00    -0.22   0.11   0.05    -0.08   0.11  -0.02
    13   1     0.05  -0.11  -0.00    -0.13  -0.14   0.01    -0.13   0.16   0.04
    14   1    -0.32  -0.16   0.12    -0.28  -0.12   0.07    -0.24  -0.11   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    806.1996               851.9188               876.0685
 Red. masses --      1.8396                 1.3893                 1.2895
 Frc consts  --      0.7045                 0.5941                 0.5831
 IR Inten    --      9.3223               127.9718                73.0842
 RamAct Fr= 1--      9.5504                 3.9908                 3.4445
  Dep-P Fr= 1--      0.1132                 0.2110                 0.4606
  Dep-U Fr= 1--      0.2033                 0.3485                 0.6307
 Alpha2 Fr= 1--      0.1619                 0.0526                 0.0202
 Beta2  Fr= 1--      0.3236                 0.2318                 0.3621
 AlphaG Fr= 1--     -0.0507                 0.0677                -0.0535
 Gamma2 Fr= 1--      0.9502                -1.1349                 0.7334
 Delta2 Fr= 1--      0.7929                -0.0848                 0.0243
 Raman1 Fr= 1--      38.202                 15.963                 13.778
 ROA1   Fr= 1--     116.595               -111.662                 71.179
 CID1   Fr= 1--       3.052                 -6.995                  5.166
 Raman2 Fr= 1--       3.883                  2.781                  4.345
 ROA2   Fr= 1--      16.462                -26.558                 17.407
 CID2   Fr= 1--       4.239                 -9.548                  4.006
 Raman3 Fr= 1--       7.767                  5.563                  8.689
 ROA3   Fr= 1--     116.595               -111.662                 71.179
 CID3   Fr= 1--      15.012                -20.073                  8.191
 RC180  Fr= 1--      -0.593                 -0.303                  0.261
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.02     0.06   0.01   0.01    -0.06   0.02   0.03
     2  16    -0.01  -0.02   0.02    -0.01  -0.01   0.00     0.01   0.01  -0.01
     3   6     0.02   0.02  -0.12    -0.06  -0.04   0.00     0.06   0.03  -0.01
     4   7    -0.01   0.11   0.01    -0.08   0.08  -0.01     0.05  -0.05  -0.05
     5   6    -0.04  -0.04   0.12     0.02   0.02  -0.06    -0.01  -0.01   0.04
     6   8     0.01  -0.06  -0.03     0.00   0.03   0.02    -0.00  -0.02   0.00
     7   8    -0.04   0.05  -0.02     0.02  -0.02  -0.03    -0.03   0.02  -0.04
     8   1    -0.18   0.08  -0.14    -0.05  -0.07   0.01     0.09  -0.03  -0.00
     9   1    -0.02   0.32  -0.03     0.08  -0.08   0.02    -0.11  -0.14   0.03
    10   1    -0.06  -0.22   0.35     0.13   0.02  -0.04    -0.07   0.08  -0.15
    11   1     0.10  -0.01   0.13     0.03  -0.03   0.65     0.18  -0.08   0.80
    12   1     0.03   0.18   0.11     0.44  -0.35   0.07    -0.11   0.24   0.08
    13   1     0.01  -0.05   0.03     0.33  -0.26  -0.10    -0.36   0.06   0.08
    14   1     0.63   0.28  -0.22     0.01  -0.00  -0.02    -0.04  -0.01   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    911.5309               943.0372              1024.1978
 Red. masses --      1.4948                 1.6761                 1.9355
 Frc consts  --      0.7317                 0.8782                 1.1962
 IR Inten    --     38.1314                 7.3403                46.8308
 RamAct Fr= 1--      2.1600                 5.5864                 2.1569
  Dep-P Fr= 1--      0.4964                 0.4402                 0.7430
  Dep-U Fr= 1--      0.6635                 0.6113                 0.8526
 Alpha2 Fr= 1--      0.0108                 0.0356                 0.0003
 Beta2  Fr= 1--      0.2389                 0.5691                 0.3065
 AlphaG Fr= 1--      0.0026                -0.0088                -0.0042
 Gamma2 Fr= 1--      0.4502                -2.2480                 0.6980
 Delta2 Fr= 1--     -0.1157                -1.5706                 0.5028
 Raman1 Fr= 1--       8.640                 22.345                  8.628
 ROA1   Fr= 1--      39.515               -266.070                 83.102
 CID1   Fr= 1--       4.573                -11.907                  9.632
 Raman2 Fr= 1--       2.866                  6.830                  3.678
 ROA2   Fr= 1--      11.730                -41.387                 12.730
 CID2   Fr= 1--       4.092                 -6.060                  3.461
 Raman3 Fr= 1--       5.733                 13.660                  7.356
 ROA3   Fr= 1--      39.515               -266.070                 83.102
 CID3   Fr= 1--       6.893                -19.479                 11.297
 RC180  Fr= 1--       0.327                  0.223                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.10     0.01   0.10  -0.04    -0.07   0.01  -0.10
     2  16     0.00   0.02   0.01    -0.01  -0.03   0.02     0.00   0.01   0.01
     3   6    -0.05  -0.02   0.08    -0.07   0.07   0.09     0.19   0.01   0.07
     4   7     0.04   0.01   0.00     0.02  -0.12  -0.02    -0.08  -0.04  -0.01
     5   6     0.00   0.02  -0.09    -0.00   0.01  -0.08     0.02  -0.03   0.02
     6   8     0.00   0.03   0.02    -0.00   0.02   0.02    -0.00  -0.04  -0.00
     7   8     0.03  -0.03  -0.00     0.03  -0.02   0.00    -0.06   0.06   0.01
     8   1    -0.16   0.14   0.06    -0.14   0.12   0.07     0.39   0.06   0.09
     9   1     0.25   0.45  -0.09    -0.00   0.02  -0.04     0.16   0.27  -0.08
    10   1    -0.08  -0.26   0.42    -0.18   0.15  -0.11    -0.61   0.01   0.08
    11   1     0.04  -0.03   0.29     0.00  -0.01   0.06    -0.03   0.04   0.04
    12   1    -0.10   0.01  -0.11    -0.04  -0.19  -0.12     0.23  -0.39  -0.05
    13   1    -0.26   0.37   0.06    -0.09   0.09  -0.01     0.24  -0.05  -0.11
    14   1    -0.24  -0.11   0.06     0.77   0.36  -0.23    -0.03  -0.01  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1111.7582              1139.1796              1214.3528
 Red. masses --      1.1701                 2.7953                 2.5513
 Frc consts  --      0.8521                 2.1373                 2.2166
 IR Inten    --     14.8355                 6.5277                20.8791
 RamAct Fr= 1--      1.7338                 1.4817                 4.6575
  Dep-P Fr= 1--      0.5074                 0.7430                 0.4217
  Dep-U Fr= 1--      0.6732                 0.8526                 0.5932
 Alpha2 Fr= 1--      0.0083                 0.0002                 0.0319
 Beta2  Fr= 1--      0.1945                 0.2105                 0.4605
 AlphaG Fr= 1--     -0.0287                -0.0021                 0.0112
 Gamma2 Fr= 1--      0.3303                 0.5424                -0.6782
 Delta2 Fr= 1--      0.1272                 0.1475                -0.0969
 Raman1 Fr= 1--       6.935                  5.927                 18.630
 ROA1   Fr= 1--      35.778                 56.789                -68.205
 CID1   Fr= 1--       5.159                  9.582                 -3.661
 Raman2 Fr= 1--       2.334                  2.526                  5.526
 ROA2   Fr= 1--       6.910                 11.837                -15.500
 CID2   Fr= 1--       2.960                  4.685                 -2.805
 Raman3 Fr= 1--       4.669                  5.053                 11.052
 ROA3   Fr= 1--      35.778                 56.789                -68.205
 CID3   Fr= 1--       7.663                 11.239                 -6.171
 RC180  Fr= 1--       0.346                  0.705                  0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02   0.01     0.08  -0.12   0.11    -0.01   0.01  -0.01
     2  16    -0.00   0.01   0.01     0.00   0.01  -0.01     0.00  -0.00   0.00
     3   6    -0.05   0.07   0.01    -0.05   0.30  -0.04    -0.05  -0.03   0.05
     4   7     0.01  -0.01  -0.04    -0.03  -0.13  -0.04     0.02   0.03  -0.01
     5   6    -0.04   0.02  -0.00     0.06  -0.04   0.02     0.27  -0.09  -0.10
     6   8     0.00   0.01   0.00    -0.02  -0.05  -0.00    -0.04  -0.09   0.01
     7   8     0.03  -0.03  -0.00     0.00   0.04  -0.00    -0.06   0.14   0.03
     8   1     0.01  -0.31   0.03    -0.19   0.67  -0.08    -0.37  -0.35   0.01
     9   1     0.57  -0.06   0.07     0.04  -0.09   0.11    -0.06  -0.01  -0.01
    10   1    -0.45   0.04  -0.01     0.11  -0.12   0.10    -0.06   0.01  -0.01
    11   1     0.05  -0.03  -0.06    -0.10   0.07   0.05    -0.58   0.34   0.12
    12   1    -0.06   0.32   0.18     0.06  -0.33  -0.12    -0.14   0.28   0.08
    13   1     0.04  -0.44   0.00     0.10  -0.12  -0.10    -0.06  -0.16   0.04
    14   1    -0.05  -0.03   0.00    -0.30  -0.14   0.07     0.05   0.02  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1242.4700              1271.9565              1328.5862
 Red. masses --      1.3809                 1.4376                 1.3373
 Frc consts  --      1.2560                 1.3703                 1.3908
 IR Inten    --     11.3452                 1.5058                 6.4046
 RamAct Fr= 1--      3.3034                 1.7925                 5.3358
  Dep-P Fr= 1--      0.4146                 0.6623                 0.4679
  Dep-U Fr= 1--      0.5862                 0.7969                 0.6375
 Alpha2 Fr= 1--      0.0232                 0.0028                 0.0304
 Beta2  Fr= 1--      0.3227                 0.2381                 0.5670
 AlphaG Fr= 1--      0.0148                -0.0210                 0.0037
 Gamma2 Fr= 1--      0.4865                -1.2021                -0.7656
 Delta2 Fr= 1--     -0.9232                -0.1732                 0.5042
 Raman1 Fr= 1--      13.213                  7.170                 21.343
 ROA1   Fr= 1--      17.162               -120.947                -57.359
 CID1   Fr= 1--       1.299                -16.869                 -2.687
 Raman2 Fr= 1--       3.873                  2.857                  6.804
 ROA2   Fr= 1--      19.062                -27.466                -22.408
 CID2   Fr= 1--       4.922                 -9.614                 -3.293
 Raman3 Fr= 1--       7.746                  5.714                 13.607
 ROA3   Fr= 1--      17.162               -120.947                -57.359
 CID3   Fr= 1--       2.216                -21.169                 -4.215
 RC180  Fr= 1--       0.172                  0.594                  0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.02  -0.01    -0.10  -0.01  -0.07     0.10  -0.02  -0.03
     2  16    -0.00  -0.01   0.01    -0.00  -0.01   0.00     0.00   0.00  -0.00
     3   6    -0.11  -0.01  -0.09     0.04   0.09   0.10    -0.12   0.02   0.04
     4   7     0.02   0.00   0.04    -0.02  -0.01  -0.05     0.01   0.00  -0.02
     5   6     0.06  -0.02   0.06    -0.02  -0.00  -0.00     0.00   0.00   0.03
     6   8    -0.01  -0.01  -0.01    -0.00  -0.01   0.00    -0.00  -0.01  -0.00
     7   8    -0.00   0.02  -0.01     0.01  -0.00   0.00     0.02   0.00  -0.01
     8   1     0.62   0.04   0.01     0.19  -0.13   0.14     0.66  -0.08   0.15
     9   1     0.60  -0.05   0.06     0.04   0.17  -0.06    -0.61   0.08  -0.11
    10   1     0.21  -0.00  -0.04     0.78  -0.16   0.13    -0.21  -0.04   0.11
    11   1    -0.15   0.09   0.07     0.00  -0.00  -0.01    -0.11   0.06   0.03
    12   1    -0.02  -0.16  -0.13    -0.01   0.20   0.14    -0.04   0.09   0.02
    13   1    -0.09   0.25   0.04     0.10  -0.35  -0.05    -0.01  -0.14   0.01
    14   1     0.10   0.05  -0.02     0.09   0.04  -0.03    -0.04  -0.02   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1401.3420              1412.5217              1489.0418
 Red. masses --      1.2910                 1.5873                 1.0926
 Frc consts  --      1.4937                 1.8659                 1.4273
 IR Inten    --     11.2049               452.1087                 4.5039
 RamAct Fr= 1--      4.1411                 3.8815                 4.9818
  Dep-P Fr= 1--      0.6477                 0.1492                 0.7348
  Dep-U Fr= 1--      0.7862                 0.2597                 0.8471
 Alpha2 Fr= 1--      0.0076                 0.0601                 0.0013
 Beta2  Fr= 1--      0.5426                 0.1680                 0.7034
 AlphaG Fr= 1--     -0.0160                -0.0301                 0.0078
 Gamma2 Fr= 1--      0.9795                 0.3111                 0.2078
 Delta2 Fr= 1--     -0.6742                 0.0755                -0.4883
 Raman1 Fr= 1--      16.564                 15.526                 19.927
 ROA1   Fr= 1--      72.458                 32.280                  4.326
 CID1   Fr= 1--       4.374                  2.079                  0.217
 Raman2 Fr= 1--       6.511                  2.016                  8.441
 ROA2   Fr= 1--      28.902                  6.862                  8.895
 CID2   Fr= 1--       4.439                  3.404                  1.054
 Raman3 Fr= 1--      13.023                  4.032                 16.881
 ROA3   Fr= 1--      72.458                 32.280                  4.326
 CID3   Fr= 1--       5.564                  8.007                  0.256
 RC180  Fr= 1--       0.572                 -0.481                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.00     0.01  -0.00  -0.00     0.01  -0.07   0.05
     2  16     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.02  -0.13   0.05    -0.05   0.02   0.01    -0.02  -0.01   0.01
     4   7     0.01   0.02  -0.06     0.01   0.01   0.00     0.00   0.00  -0.01
     5   6     0.02  -0.01   0.01     0.14  -0.06  -0.02     0.01  -0.00  -0.00
     6   8     0.00   0.01  -0.00    -0.02   0.06   0.00    -0.00   0.00   0.00
     7   8    -0.01   0.00   0.00    -0.12   0.01   0.02    -0.00   0.00  -0.00
     8   1     0.07   0.86   0.02     0.07  -0.07   0.03     0.02   0.06   0.01
     9   1     0.09  -0.11   0.02    -0.02  -0.01  -0.01     0.02   0.69   0.01
    10   1    -0.06   0.02   0.03     0.01  -0.02   0.03     0.05   0.19  -0.68
    11   1    -0.01   0.01  -0.01     0.84  -0.45  -0.17     0.01  -0.01  -0.00
    12   1    -0.04   0.30   0.13     0.01  -0.03  -0.03    -0.00   0.04   0.03
    13   1     0.06  -0.29  -0.04    -0.01  -0.07   0.02     0.02  -0.02  -0.01
    14   1     0.03   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1662.3646              1837.3809              2682.8719
 Red. masses --      1.0916                 9.8527                 1.0386
 Frc consts  --      1.7774                19.5976                 4.4045
 IR Inten    --     33.4040               308.1747                 1.3783
 RamAct Fr= 1--      2.6249                11.0049               203.5394
  Dep-P Fr= 1--      0.6820                 0.3629                 0.2336
  Dep-U Fr= 1--      0.8110                 0.5325                 0.3788
 Alpha2 Fr= 1--      0.0031                 0.0926                 2.5244
 Beta2  Fr= 1--      0.3548                 0.9767                12.8485
 AlphaG Fr= 1--      0.0088                 0.0844                -0.1170
 Gamma2 Fr= 1--      0.1734                 0.5133                 3.0749
 Delta2 Fr= 1--      0.0390                 0.5067                 0.2389
 Raman1 Fr= 1--      10.500                 44.019                814.157
 ROA1   Fr= 1--      17.894                 65.495                302.836
 CID1   Fr= 1--       1.704                  1.488                  0.372
 Raman2 Fr= 1--       4.257                 11.721                154.182
 ROA2   Fr= 1--       3.850                  8.267                 71.887
 CID2   Fr= 1--       0.904                  0.705                  0.466
 Raman3 Fr= 1--       8.515                 23.442                308.364
 ROA3   Fr= 1--      17.894                 65.495                302.836
 CID3   Fr= 1--       2.102                  2.794                  0.982
 RC180  Fr= 1--       0.622                  0.065                 -0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00   0.00   0.00
     2  16     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02  -0.02   0.01
     3   6    -0.03   0.01  -0.00    -0.02  -0.03   0.00     0.00  -0.00  -0.00
     4   7    -0.03  -0.07  -0.02    -0.00  -0.01   0.00     0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.16   0.71   0.01    -0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.10  -0.43  -0.01     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.04  -0.06   0.00     0.00   0.00   0.00
     8   1     0.02  -0.03   0.00     0.01   0.03  -0.00    -0.00   0.00   0.00
     9   1    -0.00  -0.02  -0.00     0.03  -0.00  -0.01    -0.00   0.00   0.00
    10   1    -0.01  -0.00   0.02     0.04   0.01   0.01    -0.00  -0.01  -0.00
    11   1     0.02  -0.01  -0.02     0.47  -0.19  -0.10    -0.00   0.00   0.00
    12   1     0.25   0.34   0.56     0.01  -0.03   0.00    -0.00   0.00  -0.00
    13   1     0.36   0.57  -0.22    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.02   0.02  -0.01    -0.51   0.78  -0.37
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3042.6182              3058.3968              3141.1679
 Red. masses --      1.0782                 1.0709                 1.0987
 Frc consts  --      5.8808                 5.9020                 6.3870
 IR Inten    --      6.0245                13.8941                 0.9523
 RamAct Fr= 1--    141.8234                20.5289                51.0488
  Dep-P Fr= 1--      0.1288                 0.1288                 0.3956
  Dep-U Fr= 1--      0.2281                 0.2282                 0.5670
 Alpha2 Fr= 1--      2.3128                 0.3347                 0.3841
 Beta2  Fr= 1--      5.3928                 0.7808                 4.8237
 AlphaG Fr= 1--     -0.5004                 0.1698                -0.6779
 Gamma2 Fr= 1--     10.3369                -5.3270                -3.5054
 Delta2 Fr= 1--      9.4008                -5.0069                -2.9910
 Raman1 Fr= 1--     567.294                 82.116                204.195
 ROA1   Fr= 1--    1293.165               -671.614               -432.230
 CID1   Fr= 1--       2.280                 -8.179                 -2.117
 Raman2 Fr= 1--      64.713                  9.369                 57.885
 ROA2   Fr= 1--     172.879                -87.793                -60.202
 CID2   Fr= 1--       2.671                 -9.370                 -1.040
 Raman3 Fr= 1--     129.426                 18.738                115.769
 ROA3   Fr= 1--    1293.165               -671.614               -432.230
 CID3   Fr= 1--       9.992                -35.842                 -3.734
 RC180  Fr= 1--      -0.544                 -0.544                  0.134
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.04     0.01   0.02  -0.06    -0.00  -0.07  -0.05
     2  16    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01  -0.00  -0.07     0.01  -0.00  -0.04     0.00  -0.00  -0.01
     4   7     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.12   0.04   0.82    -0.07   0.02   0.54    -0.01   0.00   0.06
     9   1     0.06  -0.02  -0.53    -0.08   0.03   0.77    -0.03  -0.00   0.31
    10   1     0.01   0.13   0.05    -0.03  -0.28  -0.11     0.09   0.89   0.30
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    12   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.01  -0.00  -0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3440.5261              3503.2981              3585.9142
 Red. masses --      1.0641                 1.0517                 1.0921
 Frc consts  --      7.4217                 7.6047                 8.2739
 IR Inten    --    255.8428                 1.2294                13.6635
 RamAct Fr= 1--     64.9457                67.5517                37.7650
  Dep-P Fr= 1--      0.0870                 0.0673                 0.5422
  Dep-U Fr= 1--      0.1601                 0.1262                 0.7031
 Alpha2 Fr= 1--      1.1736                 1.2802                 0.1508
 Beta2  Fr= 1--      1.7334                 1.4203                 4.4256
 AlphaG Fr= 1--      0.1484                 0.1792                -0.1203
 Gamma2 Fr= 1--      0.3640                 0.1046                -1.4397
 Delta2 Fr= 1--      1.0700                -0.0403                -1.6722
 Raman1 Fr= 1--     259.783                270.207                151.060
 ROA1   Fr= 1--      69.186                  8.751               -191.719
 CID1   Fr= 1--       0.266                  0.032                 -1.269
 Raman2 Fr= 1--      20.801                 17.044                 53.107
 ROA2   Fr= 1--       0.176                  2.833                -21.174
 CID2   Fr= 1--       0.008                  0.166                 -0.399
 Raman3 Fr= 1--      41.601                 34.088                106.213
 ROA3   Fr= 1--      69.186                  8.751               -191.719
 CID3   Fr= 1--       1.663                  0.257                 -1.805
 RC180  Fr= 1--      -0.680                 -0.748                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2  16    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   7    -0.00  -0.00  -0.00    -0.04  -0.03  -0.03     0.02   0.03  -0.07
     5   6     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.03  -0.05   0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
     9   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   1     0.41   0.90   0.00    -0.05  -0.10  -0.00     0.01   0.02  -0.00
    12   1     0.04   0.04  -0.05     0.27   0.28  -0.34    -0.49  -0.46   0.53
    13   1     0.03   0.01   0.08     0.27   0.09   0.80     0.19   0.06   0.47
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   397.518271520.045171852.93697
           X            0.99975  -0.02165   0.00532
           Y            0.02170   0.99972  -0.00963
           Z           -0.00511   0.00974   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21789     0.05698     0.04674
 Rotational constants (GHZ):           4.54002     1.18729     0.97399
 Zero-point vibrational energy     283167.3 (Joules/Mol)
                                   67.67861 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     83.13   123.69   215.11   249.03   367.81
          (Kelvin)            406.77   506.55   592.85   755.70   853.40
                             1004.41  1119.18  1159.94  1225.72  1260.47
                             1311.49  1356.82  1473.59  1599.57  1639.03
                             1747.18  1787.64  1830.06  1911.54  2016.22
                             2032.30  2142.40  2391.77  2643.58  3860.05
                             4377.65  4400.35  4519.44  4950.15  5040.46
                             5159.33
 
 Zero-point correction=                           0.107853 (Hartree/Particle)
 Thermal correction to Energy=                    0.116112
 Thermal correction to Enthalpy=                  0.117057
 Thermal correction to Gibbs Free Energy=         0.074204
 Sum of electronic and zero-point Energies=           -722.016977
 Sum of electronic and thermal Energies=              -722.008717
 Sum of electronic and thermal Enthalpies=            -722.007773
 Sum of electronic and thermal Free Energies=         -722.050625
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.862             28.471             90.191
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.506
 Vibrational             71.084             22.510             21.398
 Vibration     1          0.596              1.974              4.532
 Vibration     2          0.601              1.959              3.750
 Vibration     3          0.618              1.903              2.678
 Vibration     4          0.627              1.876              2.402
 Vibration     5          0.666              1.753              1.691
 Vibration     6          0.682              1.706              1.517
 Vibration     7          0.729              1.571              1.157
 Vibration     8          0.776              1.444              0.919
 Vibration     9          0.880              1.194              0.598
 Vibration    10          0.951              1.046              0.462
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.738697D-34        -34.131534        -78.590761
 Total V=0       0.300078D+16         15.477235         35.637649
 Vib (Bot)       0.372688D-47        -47.428655       -109.208513
 Vib (Bot)    1  0.357476D+01          0.553247          1.273898
 Vib (Bot)    2  0.239321D+01          0.378981          0.872635
 Vib (Bot)    3  0.135640D+01          0.132388          0.304835
 Vib (Bot)    4  0.116316D+01          0.065640          0.151143
 Vib (Bot)    5  0.761394D+00         -0.118391         -0.272604
 Vib (Bot)    6  0.679059D+00         -0.168092         -0.387047
 Vib (Bot)    7  0.523343D+00         -0.281214         -0.647519
 Vib (Bot)    8  0.428710D+00         -0.367837         -0.846975
 Vib (Bot)    9  0.305838D+00         -0.514508         -1.184699
 Vib (Bot)   10  0.253516D+00         -0.595994         -1.372328
 Vib (V=0)       0.151396D+03          2.180114          5.019897
 Vib (V=0)    1  0.410956D+01          0.613795          1.413316
 Vib (V=0)    2  0.294488D+01          0.469068          1.080069
 Vib (V=0)    3  0.194562D+01          0.289059          0.665582
 Vib (V=0)    4  0.176608D+01          0.247009          0.568760
 Vib (V=0)    5  0.141089D+01          0.149493          0.344221
 Vib (V=0)    6  0.134328D+01          0.128167          0.295115
 Vib (V=0)    7  0.122380D+01          0.087711          0.201961
 Vib (V=0)    8  0.115863D+01          0.063944          0.147237
 Vib (V=0)    9  0.108612D+01          0.035878          0.082612
 Vib (V=0)   10  0.106060D+01          0.025551          0.058833
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.378776D+06          5.578383         12.844701
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3  3         3  33           2                             1      1     1 11 1 111  11  1                                    
     5  5  4         1  00           6                             8      6     4 44 3 222  11  0  9988 87  6  5  5   4 3 22  11     
     8  0  4         4  54           8                             3      6     8 10 2 741  31  2  4175 07  9  9  2   1 5 85  75 85  
     6  3  1         1  83           3                             7      2     9 31 9 224  92  4  3262 68  8  3  5   2 2 36  30 68  
 
     X  X  X         X  XX           X                             X      X     X XX X XXX  XX  X  XXXX XX  X  X  X   X X XX  XX XX  
           X                                                       X              X             X   XXX                              
           X                                                       X              X                  XX                              
           X                                                       X              X                   X                              
           X                                                       X              X                   X                              
           X                                                       X              X                   X                              
           X                                                       X              X                                                  
           X                                                       X              X                                                  
           X                                                       X              X                                                  
           X                                                       X              X                                                  
           X                                                       X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000029501    0.000006355   -0.000000561
      2       16          -0.000008599   -0.000013766    0.000007358
      3        6           0.000001955    0.000008718   -0.000004327
      4        7          -0.000007692   -0.000006495   -0.000004765
      5        6          -0.000006479   -0.000021123    0.000000419
      6        8          -0.000000134    0.000020853    0.000003991
      7        8          -0.000014743   -0.000005387   -0.000002096
      8        1           0.000002367    0.000004160   -0.000003752
      9        1          -0.000000741   -0.000000809    0.000003140
     10        1          -0.000007104    0.000000818    0.000000712
     11        1           0.000005857    0.000006727    0.000003867
     12        1           0.000003188   -0.000003038   -0.000001393
     13        1           0.000003244   -0.000002210    0.000000339
     14        1          -0.000000621    0.000005197   -0.000002932
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000029501 RMS     0.000008321
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.928892D+02 -0.564673D+00 -0.102604D+01
      2  -0.564673D+00  0.775224D+02  0.295587D+00
      3  -0.102604D+01  0.295587D+00  0.614627D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.143332D+00 -0.321746D+01 -0.184363D+01
      2   0.358359D+01 -0.873838D+00  0.351654D+02
      3   0.565706D+01 -0.132789D+02  0.146883D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.973135D+02 -0.562215D+01  0.281954D+01
      2  -0.567120D+02  0.760811D+00  0.416895D+00
      3  -0.406015D+02  0.486134D+01 -0.323643D+01
      4  -0.880873D+01  0.171017D+02 -0.408768D+01
      5   0.658048D+01 -0.566455D+01  0.664228D+02
      6  -0.161818D+01  0.354165D+01  0.337686D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.103615D+02 -0.318831D+01  0.164758D+01 -0.418930D+01  0.116531D+01
      2  -0.318831D+01  0.127314D+00 -0.604947D+00  0.116531D+01  0.300710D+01
      3   0.164758D+01 -0.604947D+00 -0.727018D+00  0.714636D+00  0.123593D+01
                 6             7             8             9            10 
      1   0.714636D+00  0.263920D+01  0.426676D+00  0.213922D+01  0.112500D+02
      2   0.123593D+01  0.426676D+00  0.248899D+01  0.108061D+01  0.564466D+01
      3  -0.359571D+00  0.213922D+01  0.108061D+01 -0.617056D+01 -0.294998D+01
                11            12            13            14            15 
      1   0.564466D+01 -0.294998D+01  0.873014D+01  0.217230D+00  0.939791D+00
      2  -0.523417D+00  0.102738D+01  0.217230D+00  0.600625D+01 -0.290087D+01
      3   0.102738D+01  0.143818D+01  0.939791D+00 -0.290087D+01  0.190729D+01
                16            17            18            19            20 
      1  -0.452395D+01  0.804522D+00  0.307758D+01  0.430518D+01  0.310609D+01
      2   0.804522D+00 -0.325745D+01  0.102191D+01  0.310609D+01 -0.131217D+01
      3   0.307758D+01  0.102191D+01 -0.128173D+01 -0.562352D+00  0.436122D+00
                21            22            23            24            25 
      1  -0.562352D+00  0.447379D+01  0.302107D+00  0.128857D+00 -0.147762D+01
      2   0.436122D+00  0.302107D+00 -0.240900D+01 -0.660621D+00  0.987824D+00
      3  -0.743981D+00  0.128857D+00 -0.660621D+00  0.750303D+00 -0.617370D+00
                26            27            28            29            30 
      1   0.987824D+00 -0.617370D+00 -0.151546D+01 -0.152494D+01  0.658388D+00
      2  -0.134467D+01  0.310798D-01 -0.152494D+01 -0.163016D+01  0.823257D-01
      3   0.310798D-01  0.594905D+01  0.658388D+00  0.823257D-01 -0.180333D+01
                31            32            33            34            35 
      1  -0.121048D+01 -0.233021D+01  0.305152D+00  0.928134D+00  0.256581D+00
      2  -0.233021D+01  0.446621D+01  0.926806D+00  0.256581D+00  0.116999D+01
      3   0.305152D+00  0.926806D+00 -0.104657D+01 -0.222745D+01 -0.652837D+00
                36            37            38            39            40 
      1  -0.222745D+01 -0.433105D+01 -0.191084D+01  0.306527D-01 -0.192871D+01
      2  -0.652837D+00 -0.191084D+01  0.102982D+01  0.732192D-01  0.210521D+01
      3  -0.284980D+01  0.306527D-01  0.732192D-01 -0.589953D+00  0.227229D+00
                41            42            43            44            45 
      1   0.210521D+01  0.227229D+00  0.842219D+00  0.230730D+00 -0.310256D+00
      2   0.566990D+01  0.228346D+00  0.230730D+00  0.636262D+00  0.248245D+00
      3   0.228346D+00  0.361629D+00 -0.310256D+00  0.248245D+00 -0.345664D+00
                46            47            48            49            50 
      1  -0.211147D+01 -0.337913D+01 -0.212462D+00 -0.405061D+01 -0.293599D+01
      2  -0.337913D+01 -0.258546D+01 -0.192246D+00 -0.293599D+01 -0.127329D+02
      3  -0.212462D+00 -0.192246D+00 -0.116752D+00 -0.195976D+00 -0.362415D+00
                51            52            53            54            55 
      1  -0.195976D+00 -0.375627D+00 -0.924804D-01 -0.117609D+01 -0.818365D+01
      2  -0.362415D+00 -0.924804D-01 -0.205806D+00 -0.310168D+01  0.173670D+01
      3  -0.228168D+01 -0.117609D+01 -0.310168D+01 -0.231551D+00  0.513994D+00
                56            57            58            59            60 
      1   0.173670D+01  0.513994D+00 -0.188787D+01 -0.375096D+01 -0.551345D-01
      2  -0.231903D+01 -0.140441D+00 -0.375096D+01 -0.588999D+00  0.752447D-01
      3  -0.140441D+00 -0.696718D+00 -0.551345D-01  0.752447D-01  0.413925D+00
                61            62            63            64            65 
      1   0.869510D+00 -0.204165D+00 -0.184023D+01  0.459356D+00 -0.598585D+00
      2  -0.204165D+00 -0.212972D-01  0.121618D+01 -0.598585D+00  0.296574D+00
      3  -0.184023D+01  0.121618D+01  0.739539D+00 -0.906529D+00 -0.101521D+00
                66            67            68            69            70 
      1  -0.906529D+00 -0.103829D+01  0.107393D+00  0.660041D-01 -0.193651D+01
      2  -0.101521D+00  0.107393D+00  0.471000D+00 -0.101069D+01 -0.125840D+00
      3   0.640756D+00  0.660041D-01 -0.101069D+01 -0.274792D+00 -0.483793D-02
                71            72            73            74            75 
      1  -0.125840D+00 -0.483793D-02 -0.131820D+00  0.139975D+00  0.960941D+00
      2  -0.135488D+01  0.893140D-01  0.139975D+00 -0.774624D-01  0.230214D+00
      3   0.893140D-01 -0.743307D+01  0.960941D+00  0.230214D+00 -0.626411D+00
                76            77            78            79            80 
      1   0.102899D+01 -0.474542D+00 -0.380010D-01  0.300208D+01  0.221263D+00
      2  -0.474542D+00 -0.697528D+00  0.902840D+00  0.221263D+00  0.991268D+00
      3  -0.380010D-01  0.902840D+00  0.855108D-01 -0.196284D+01 -0.159267D+01
                81            82            83            84            85 
      1  -0.196284D+01 -0.306947D+00 -0.546812D+00 -0.469447D+00 -0.221657D+01
      2  -0.159267D+01 -0.546812D+00 -0.914395D-01  0.106251D+00 -0.118863D+01
      3   0.761719D+01 -0.469447D+00  0.106251D+00  0.164495D-01 -0.483845D-01
                86            87            88            89            90 
      1  -0.118863D+01 -0.483845D-01 -0.175850D+01 -0.262540D+00 -0.432065D+00
      2  -0.712618D+01 -0.479523D+00 -0.262540D+00 -0.148127D+01 -0.107394D+01
      3  -0.479523D+00 -0.843369D+00 -0.432065D+00 -0.107394D+01 -0.252108D-01
                91            92            93            94            95 
      1   0.217905D+01  0.181359D+01 -0.129007D+00  0.481663D+01  0.139642D+00
      2   0.181359D+01  0.542878D+00  0.924733D-01  0.139642D+00  0.439510D+01
      3  -0.129007D+00  0.924733D-01 -0.433593D+00 -0.147910D+00  0.220595D+00
                96            97            98            99           100 
      1  -0.147910D+00 -0.151783D+00 -0.766600D-01 -0.631305D+00  0.193097D+01
      2   0.220595D+00 -0.766600D-01  0.616778D-01  0.518353D+00  0.164076D+01
      3   0.813777D+00 -0.631305D+00  0.518353D+00  0.155046D+00 -0.787430D+00
               101           102           103           104           105 
      1   0.164076D+01 -0.787430D+00  0.207444D+01  0.183849D+01 -0.783084D+00
      2   0.261878D+01 -0.886936D+00  0.183849D+01  0.355517D+01 -0.112701D+01
      3  -0.886936D+00  0.106987D+01 -0.783084D+00 -0.112701D+01  0.136895D+01
               106           107           108           109           110 
      1  -0.199764D+01 -0.103821D+01  0.107994D+01  0.286790D+00  0.599861D+00
      2  -0.103821D+01 -0.223051D+01  0.157814D+01  0.599861D+00  0.819470D+00
      3   0.107994D+01  0.157814D+01 -0.183058D+01  0.679419D+00  0.723139D+00
               111           112           113           114           115 
      1   0.679419D+00  0.608433D+00  0.430834D+00  0.401437D+00  0.179712D+01
      2   0.723139D+00  0.430834D+00  0.128888D+01  0.809044D+00  0.409944D+00
      3   0.117907D+01  0.401437D+00  0.809044D+00  0.921909D+00  0.141708D+01
               116           117           118           119           120 
      1   0.409944D+00  0.141708D+01  0.653054D+01 -0.353303D+01  0.152623D+01
      2   0.207631D+01  0.169114D+01 -0.353303D+01  0.310430D+01 -0.845039D+00
      3   0.169114D+01  0.507939D+01  0.152623D+01 -0.845039D+00  0.139343D+01
               121           122           123           124           125 
      1  -0.521058D+01  0.437413D+01 -0.151462D+01  0.214337D+01 -0.153765D+01
      2   0.437413D+01 -0.530497D+01  0.214233D+01 -0.153765D+01  0.247137D+01
      3  -0.151462D+01  0.214233D+01 -0.181731D+01  0.148861D+01 -0.105386D+01
               126 
      1   0.148861D+01
      2  -0.105386D+01
      3   0.627943D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112882D+01 -0.118744D+01  0.473548D+00  0.463890D+00  0.502353D+01
      2   0.605722D+01 -0.133873D+01 -0.295464D+01  0.168372D+01 -0.152504D+00
      3   0.708144D+01  0.354104D+01  0.709210D+00  0.128248D+02 -0.376810D+01
                 6             7             8             9            10 
      1  -0.324364D+01  0.462468D+01  0.395082D+01 -0.498208D+01 -0.735886D-01
      2  -0.122238D+01 -0.826749D+01 -0.476023D+00 -0.257237D+01 -0.119911D+02
      3  -0.330824D+01 -0.287544D+01 -0.320331D+01 -0.348722D+01 -0.214098D+02
                11            12            13            14            15 
      1   0.169595D+01  0.433834D+00  0.122474D+01  0.109944D+01 -0.611768D+01
      2   0.199332D+01  0.818864D+01  0.913953D+00 -0.836001D+01  0.629030D+01
      3  -0.255653D+01 -0.110742D+01  0.175561D+02 -0.202133D+02  0.782714D+01
                16            17            18            19            20 
      1  -0.109154D+00  0.101344D+02 -0.173604D+01 -0.208697D+01  0.531303D+00
      2  -0.102690D+02  0.380043D+01 -0.188397D+01  0.170867D+01 -0.653517D+00
      3  -0.174259D+00  0.929772D+01 -0.384256D+01  0.153100D+01 -0.594250D+01
                21            22            23            24            25 
      1  -0.711832D+00  0.200562D+00  0.347502D+00 -0.714186D+00 -0.207194D+01
      2   0.329220D+01  0.210013D+01 -0.912201D+00  0.349765D+01 -0.380000D+01
      3   0.714061D+00 -0.122996D+01 -0.290099D+01  0.201847D+00 -0.820857D-01
                26            27            28            29            30 
      1   0.434665D+01 -0.233637D+00 -0.154707D+01 -0.122119D+01  0.562529D+01
      2   0.152669D+00 -0.477746D+01 -0.127347D+00  0.119360D+01  0.569547D+01
      3   0.198978D+01  0.533045D+00 -0.370574D+01 -0.124179D+02  0.966007D+00
                31            32            33            34            35 
      1  -0.241826D+01 -0.393349D+01 -0.232692D+01  0.569621D+01  0.669103D+01
      2  -0.547965D-02  0.299296D+00 -0.143221D+01 -0.219319D+01  0.114447D-01
      3   0.107639D+01  0.174278D+00  0.156160D+01  0.252205D+01  0.162432D+01
                36            37            38            39            40 
      1   0.534610D+01  0.123605D+01  0.744157D+00  0.436907D+00  0.165262D+01
      2   0.248137D+01 -0.423664D+01 -0.448671D+00 -0.600409D+01 -0.425624D+00
      3  -0.675885D+01 -0.643434D+01  0.119749D+01 -0.137925D+00  0.185943D+01
                41            42            43            44            45 
      1  -0.629688D+00  0.864799D+01  0.132217D+00  0.897720D+01  0.846265D+00
      2   0.102957D+01 -0.276032D+01 -0.199642D+02 -0.226643D+01  0.369186D+01
      3   0.119950D+02 -0.108205D+01  0.603178D+00 -0.184760D+01  0.103044D+01
                46            47            48            49            50 
      1   0.738511D-01  0.240641D+00 -0.281958D+01  0.122762D+00  0.120651D+01
      2   0.302322D+00  0.527939D+00  0.570090D+01 -0.171079D+01 -0.316257D+00
      3  -0.173556D+01 -0.622850D+01 -0.331853D+00  0.880031D+01 -0.232674D+02
                51            52            53            54            55 
      1  -0.105464D+02 -0.581251D+00  0.996639D+00 -0.149965D+00 -0.982242D+00
      2   0.553925D+01  0.348735D+01  0.597355D+01 -0.346904D+00  0.518235D-01
      3  -0.142335D-01 -0.935922D+00 -0.299183D-02 -0.569115D+01 -0.524956D+01
                56            57            58            59            60 
      1  -0.865491D+00  0.259433D+01 -0.401860D+00 -0.572732D+00 -0.366026D+01
      2   0.819720D+00  0.893237D+01  0.164556D+01 -0.203855D+00 -0.117464D+01
      3  -0.167860D+02 -0.402787D+00 -0.132807D+02 -0.754648D+01  0.260686D+00
                61            62            63            64            65 
      1   0.605507D+00  0.210374D+01 -0.502342D+00  0.454479D+00 -0.681339D+00
      2   0.715007D+01 -0.148202D+01 -0.288385D+01  0.200739D+01 -0.340222D+00
      3   0.186975D+00  0.166287D+01  0.252466D+01  0.254463D+00 -0.176233D+00
                66            67            68            69            70 
      1   0.114611D+00 -0.366735D+00 -0.394084D+00 -0.149498D+00  0.215378D+00
      2  -0.256547D+00 -0.489197D+00  0.752916D+00 -0.276524D+00 -0.319961D+01
      3  -0.292229D+00  0.178923D+01  0.816182D-01 -0.128153D+00 -0.562494D-01
                71            72            73            74            75 
      1   0.271431D+01  0.104885D+01  0.946768D+00 -0.104988D+01 -0.121244D+01
      2   0.110670D-01  0.323129D+01  0.192367D+01  0.776225D+00  0.230389D+01
      3  -0.554304D+00  0.522259D+00  0.102670D+01 -0.189278D+01 -0.144629D+01
                76            77            78            79            80 
      1  -0.763923D+00  0.106585D+00 -0.196431D-02 -0.202462D+01  0.147547D+01
      2  -0.735282D-01  0.103378D+01  0.241644D+00 -0.449250D+01 -0.883216D+00
      3  -0.394925D-01  0.435706D+00 -0.372765D+00 -0.329866D+01 -0.268316D+00
                81            82            83            84            85 
      1   0.654924D+01 -0.100958D+01 -0.413385D+00 -0.815087D+00 -0.766757D+00
      2   0.396869D+01 -0.667744D-01  0.804591D+00  0.187342D+01  0.910646D+00
      3   0.369984D+01  0.237975D+01 -0.189676D+00 -0.805226D-01  0.557436D+01
                86            87            88            89            90 
      1  -0.355124D+01 -0.281685D+01 -0.951363D+00 -0.111628D+01 -0.163009D+00
      2   0.135658D+01 -0.346696D+00 -0.658055D+00 -0.266040D+00 -0.578102D+00
      3   0.646915D+01  0.967964D+00  0.228415D+01  0.173287D+01  0.143766D+01
                91            92            93            94            95 
      1   0.788700D+00  0.633809D+00  0.890270D+00  0.582944D+00  0.867064D+00
      2  -0.793873D+00 -0.795819D+00 -0.142298D+01 -0.596650D+00 -0.979427D+00
      3   0.934746D+01  0.959321D+01  0.754349D-01  0.128154D+02  0.167100D+02
                96            97            98            99           100 
      1  -0.102853D+01  0.889923D+00  0.113177D+01  0.926549D-01  0.203982D+01
      2  -0.228057D+01 -0.192853D+01 -0.167726D+01 -0.545019D-01  0.139062D+01
      3   0.589860D+00 -0.340116D+00 -0.431591D+00 -0.310895D-01  0.678112D+01
               101           102           103           104           105 
      1   0.181980D+01 -0.336208D+01  0.191619D+01  0.229986D+01 -0.301393D+01
      2  -0.132280D+00 -0.204928D+00  0.182371D+00  0.478099D+00  0.640425D+00
      3   0.319223D+01 -0.210256D+01  0.656066D+01  0.460809D+01 -0.235738D+01
               106           107           108           109           110 
      1  -0.304385D+01 -0.200099D+01  0.335771D+01 -0.144381D+01 -0.503225D+00
      2  -0.197307D+01  0.142780D+00 -0.409160D+00 -0.171151D+01  0.206479D+00
      3  -0.564394D+01 -0.299127D+01  0.316199D+01  0.214492D+01  0.763841D+00
               111           112           113           114           115 
      1  -0.319105D+01 -0.390343D+00 -0.168295D+01 -0.210004D+01 -0.386642D+01
      2  -0.604866D+00  0.781236D-01 -0.262151D+00  0.572067D+00 -0.297171D+01
      3   0.133894D+01  0.191974D+01  0.501536D+00  0.856345D+00  0.416946D+01
               116           117           118           119           120 
      1  -0.161278D+01 -0.104735D+02  0.474780D+00  0.256288D+00  0.154328D+01
      2  -0.241246D+00 -0.189743D+01  0.497377D+01 -0.245804D+01  0.620865D+01
      3   0.130039D+01  0.452733D+01  0.827771D+01 -0.108610D+02  0.195598D+01
               121           122           123           124           125 
      1  -0.544105D+00 -0.340913D+00 -0.367554D+01  0.195134D+00  0.971338D+00
      2  -0.421324D+01  0.623617D+01 -0.728800D+01  0.266207D+01 -0.251940D+01
      3  -0.980844D+01  0.164407D+02 -0.551058D+01  0.364086D+01 -0.830856D+01
               126 
      1   0.114169D+01
      2   0.253850D+01
      3   0.237366D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.477699D+02 -0.561487D+01  0.254092D+01 -0.112981D+02  0.922842D+01
      2   0.262631D+02  0.326651D+01 -0.334826D+01  0.606950D+01 -0.121128D+02
      3   0.215068D+02  0.234836D+01  0.807338D+00  0.522861D+01  0.288440D+01
      4  -0.473626D+01 -0.679164D+01 -0.265164D+01  0.736195D+01  0.228249D+01
      5   0.720637D+01 -0.195145D+01 -0.113534D+02  0.452095D+01  0.174695D+01
      6  -0.359521D+01  0.207603D+01 -0.152075D+01  0.102805D+01 -0.419941D+01
                 6             7             8             9            10 
      1   0.674140D+01  0.709165D+01  0.565112D+01  0.170446D+02  0.702082D+02
      2  -0.598073D+01 -0.774306D+01 -0.567098D+01 -0.192768D+01 -0.412573D+02
      3  -0.760672D+00  0.651410D+00  0.198607D-01 -0.151169D+02 -0.289509D+02
      4   0.137058D+01  0.321541D+01  0.598645D+01  0.147368D+01  0.293820D+02
      5  -0.431875D+01  0.820047D+01  0.226736D+01 -0.502840D+01 -0.179206D+02
      6   0.273064D+01 -0.291224D+01  0.148078D+01  0.588252D+01  0.429371D+01
                11            12            13            14            15 
      1   0.280977D+02 -0.161691D+02  0.395370D+02 -0.111077D+02  0.542090D+00
      2  -0.142159D+02  0.645262D+01 -0.199322D+02  0.128396D+02  0.274661D+01
      3  -0.138818D+02  0.971647D+01 -0.196048D+02 -0.173190D+01 -0.328870D+01
      4   0.685743D+01  0.769676D+01  0.921409D+01  0.321816D+02 -0.165386D+02
      5   0.677378D+01  0.224413D+02  0.730930D+01 -0.160409D+02  0.109489D+02
      6  -0.192378D+01  0.506271D+00 -0.348430D+01  0.827819D+01  0.155468D+02
                16            17            18            19            20 
      1  -0.201796D+02 -0.468960D+00 -0.337034D+01 -0.257485D+01 -0.121277D+01
      2   0.884277D+01 -0.606839D+00 -0.185229D+02  0.405097D+01 -0.347319D-01
      3   0.113368D+02  0.107580D+01  0.218932D+02 -0.147611D+01  0.124750D+01
      4   0.848843D+01 -0.182396D+02  0.568875D+01 -0.460873D+01  0.447236D+01
      5   0.292072D+02  0.680639D+01 -0.462726D+01  0.107395D+01  0.568613D+00
      6   0.634391D+00  0.125386D+02  0.717819D+01  0.661835D+00 -0.188244D+01
                21            22            23            24            25 
      1  -0.738320D+00  0.552209D+01  0.386478D+01  0.109860D+01 -0.649219D+01
      2  -0.730234D+00 -0.227497D+01 -0.746362D+01 -0.423809D+00  0.299084D+01
      3   0.146855D+01 -0.324712D+01  0.359884D+01 -0.674792D+00  0.350135D+01
      4   0.290848D+00 -0.814707D+01  0.727523D+01  0.803326D+00 -0.121563D+01
      5   0.148443D+01  0.623603D+00  0.141150D+01  0.434082D+01 -0.144536D+01
      6   0.282174D-01 -0.165079D+01 -0.772634D-02 -0.296137D+01  0.478926D+00
                26            27            28            29            30 
      1   0.107944D+01  0.664527D+01  0.167005D+02  0.502657D+01  0.873670D+00
      2  -0.350975D+01  0.919440D+01 -0.125388D+02 -0.812840D+01  0.254653D+01
      3   0.243031D+01 -0.158397D+02 -0.416171D+01  0.310183D+01 -0.342020D+01
      4  -0.138725D+01  0.531991D+00 -0.438856D+01 -0.197556D+01  0.157024D+01
      5  -0.538722D+00 -0.245822D+01  0.156301D+00  0.804293D+00  0.452005D+01
      6   0.722010D+00  0.125405D+01  0.312442D+01  0.263622D+01 -0.100498D+02
                31            32            33            34            35 
      1   0.258462D+01 -0.155017D+02 -0.287809D+01 -0.146570D+01 -0.205526D+01
      2  -0.803104D+01  0.252770D+02  0.524054D+01  0.360020D+01  0.627771D+01
      3   0.544643D+01 -0.977533D+01 -0.236245D+01 -0.213449D+01 -0.422246D+01
      4   0.321323D+01 -0.123266D+02  0.492188D+00  0.231002D+01  0.153645D+01
      5   0.490338D+00 -0.480706D+00 -0.317960D+01  0.379345D+01 -0.289268D+01
      6   0.255330D+01  0.610936D+01  0.147964D+01 -0.112511D+02 -0.127260D+01
                36            37            38            39            40 
      1   0.321869D+01 -0.522932D+01  0.110403D+02  0.283477D+00 -0.774661D+00
      2  -0.234581D+01  0.943271D+00 -0.105660D+02 -0.258477D+01 -0.342842D+01
      3  -0.872882D+00  0.428605D+01 -0.474383D+00  0.230129D+01  0.420308D+01
      4  -0.838526D+01  0.580949D+01 -0.134122D+02 -0.132749D+01 -0.213272D+02
      5   0.108301D+00 -0.305301D+00 -0.210032D+01 -0.803634D+01 -0.366522D+01
      6  -0.824385D+01 -0.449279D+00 -0.569031D+00  0.118826D+01 -0.847052D+00
                41            42            43            44            45 
      1   0.644740D+01  0.555598D+00  0.348611D+01 -0.219360D+01 -0.484580D+01
      2  -0.175978D+02  0.848565D+00 -0.358680D+01  0.590862D+00 -0.604913D+01
      3   0.111504D+02 -0.140416D+01  0.100689D+00  0.160274D+01  0.108949D+02
      4  -0.287457D+02 -0.103818D+01 -0.186725D+01  0.134703D+01 -0.212975D+01
      5  -0.187475D+01 -0.335513D+01  0.221239D+01 -0.177751D+01  0.379947D+01
      6  -0.212798D+01 -0.125222D+02 -0.327640D+00  0.332985D+01 -0.935214D+00
                46            47            48            49            50 
      1   0.128905D+02  0.742464D+01  0.127929D+00  0.102219D+02 -0.215969D+02
      2  -0.217704D+01  0.201066D+01  0.297845D+00  0.236341D+01  0.418107D+02
      3  -0.107135D+02 -0.943530D+01 -0.425773D+00 -0.125853D+02 -0.202138D+02
      4   0.210134D+02  0.247710D+02  0.151698D+01  0.266157D+02  0.566182D+02
      5   0.164748D+01  0.182024D+01  0.906598D+01  0.207846D+01  0.290847D+01
      6   0.941348D+00  0.819460D+00  0.375121D+01  0.164035D+01  0.245586D+01
                51            52            53            54            55 
      1  -0.139875D+01 -0.116148D+00 -0.859798D+00 -0.358717D+01  0.544770D+02
      2   0.346147D+00  0.642686D+00 -0.146995D-01  0.281866D+01 -0.321256D+02
      3   0.105260D+01 -0.526538D+00  0.874498D+00  0.768510D+00 -0.223514D+02
      4   0.205365D+01  0.593875D+00  0.451010D+00  0.135451D+02 -0.205758D+02
      5   0.111667D+02  0.102718D+02  0.136288D+02  0.130663D+01 -0.313732D+01
      6   0.163920D+02  0.456291D+01  0.141349D+02  0.137682D+01  0.599957D+00
                56            57            58            59            60 
      1  -0.870180D+01 -0.139654D+01  0.599809D+01  0.124543D+02 -0.699100D+00
      2   0.244683D+01  0.213068D+01 -0.700526D+01 -0.458718D+01 -0.412008D-01
      3   0.625497D+01 -0.734135D+00  0.100717D+01 -0.786714D+01  0.740301D+00
      4   0.203184D+02  0.154532D+01  0.198195D+02 -0.429289D+01 -0.116960D+01
      5   0.118411D+01  0.167688D+02 -0.179565D+00 -0.135108D+01 -0.401608D+01
      6  -0.220095D+00 -0.442986D+01 -0.836699D+00  0.457930D+00  0.732630D+01
                61            62            63            64            65 
      1  -0.196345D+01  0.907672D+00  0.668656D+01  0.112079D+01  0.331371D+00
      2   0.219969D+01 -0.250372D+00 -0.876827D+01 -0.382231D+01 -0.148019D+00
      3  -0.236234D+00 -0.657300D+00  0.208172D+01  0.270152D+01 -0.183352D+00
      4   0.137452D+01 -0.149645D+01 -0.631413D+01 -0.302312D-01  0.409194D+00
      5   0.161886D+02 -0.701754D+01 -0.555672D+01 -0.345747D+00 -0.242884D+00
      6  -0.216435D+01  0.509998D+01  0.105587D+01 -0.309989D+00  0.252852D+00
                66            67            68            69            70 
      1   0.771253D+00  0.234212D+00 -0.448766D+01 -0.714012D-01  0.148379D+01
      2   0.704736D+00  0.507407D+00  0.716406D+00 -0.847616D+00  0.700972D+00
      3  -0.147599D+01 -0.741619D+00  0.377125D+01  0.919017D+00 -0.218476D+01
      4  -0.356353D+00  0.222367D+01 -0.841283D+00  0.369387D+00  0.100013D+01
      5   0.390759D+01  0.146265D+00  0.785907D-01 -0.330954D+00  0.386499D+01
      6   0.173479D+00  0.287693D+00  0.377476D+00  0.620744D+01  0.191217D+00
                71            72            73            74            75 
      1   0.159642D+01 -0.179924D+02  0.217547D+01 -0.325210D+00  0.356706D+01
      2  -0.102227D+01 -0.128731D+02 -0.439470D+01  0.144114D-01  0.791068D+00
      3  -0.574145D+00  0.308656D+02  0.221923D+01  0.310798D+00 -0.435813D+01
      4   0.893407D+00 -0.378381D+00  0.282287D+00  0.272896D+01 -0.700300D+00
      5   0.117826D+00  0.243479D+01 -0.196411D+01  0.161578D+00  0.756872D+01
      6   0.381494D+01 -0.270520D+01 -0.643570D+00 -0.895794D+00  0.142929D+01
                76            77            78            79            80 
      1   0.266389D+01 -0.521942D+01  0.183335D+01  0.119913D+02  0.564142D+01
      2  -0.817609D+00  0.260021D+01 -0.141188D+01 -0.167812D+01 -0.973562D+00
      3  -0.184629D+01  0.261921D+01 -0.421467D+00 -0.103132D+02 -0.466786D+01
      4   0.152161D+00 -0.188005D+00  0.692867D+00 -0.188920D+01 -0.424650D-01
      5  -0.502188D+00  0.667205D+00  0.232949D+00  0.131195D+01 -0.276774D+01
      6  -0.107826D+01 -0.233937D+01  0.491865D+01  0.278747D+01  0.568912D+01
                81            82            83            84            85 
      1  -0.264029D+02  0.236249D+01 -0.119712D+01 -0.284591D+00 -0.856382D+01
      2  -0.622251D+01  0.116089D+01  0.149546D+01  0.101632D+01  0.785231D+01
      3   0.326254D+02 -0.352339D+01 -0.298333D+00 -0.731730D+00  0.711512D+00
      4  -0.119686D+01  0.122564D+01  0.533530D+01  0.135656D+01  0.199967D+01
      5   0.472513D+01  0.256923D+00  0.748842D+00  0.244404D+01 -0.426778D+00
      6  -0.123167D+02  0.150826D+01  0.110596D+00  0.157597D+00 -0.599745D-01
                86            87            88            89            90 
      1  -0.211041D+02 -0.763209D+00 -0.460588D+01 -0.389536D+01 -0.507276D+01
      2   0.298668D+02  0.254718D+01  0.394770D+01  0.521123D+01  0.309247D+01
      3  -0.876266D+01 -0.178398D+01  0.658188D+00 -0.131587D+01  0.198029D+01
      4  -0.755888D+01  0.166964D+00  0.555051D+00 -0.207077D+01 -0.837134D+00
      5  -0.129621D+00 -0.612773D+00  0.484388D+00 -0.109821D+01 -0.845070D+00
      6   0.665153D+00  0.380945D+01  0.126480D+01  0.509015D+01  0.102310D+01
                91            92            93            94            95 
      1  -0.143800D+02 -0.404223D+01  0.143790D+00 -0.161948D+02 -0.663414D+01
      2   0.112385D+02  0.103815D+01 -0.126564D+00  0.868275D+01  0.979775D+01
      3   0.314152D+01  0.300408D+01 -0.172265D-01  0.751202D+01 -0.316361D+01
      4  -0.237963D+01 -0.122181D+01 -0.427016D+00  0.671507D+01 -0.182722D+02
      5   0.100246D+01  0.175113D+00 -0.173493D+01  0.134737D+01 -0.339195D+00
      6  -0.215760D+00 -0.431176D-01 -0.179004D+01 -0.271179D+00  0.731314D+00
                96            97            98            99           100 
      1   0.171559D+00  0.764503D+00 -0.111118D+00 -0.720221D+00 -0.203049D+01
      2  -0.646457D-01 -0.429796D+00  0.422758D-02  0.124942D+00  0.526111D+01
      3  -0.106913D+00 -0.334707D+00  0.106890D+00  0.595279D+00 -0.323062D+01
      4  -0.928043D+00  0.259967D-01 -0.268138D+00 -0.251750D+01  0.598558D+01
      5  -0.402039D+01  0.296939D+01 -0.229185D+01 -0.337923D+00 -0.196093D+01
      6   0.159906D+01 -0.157741D+01  0.250922D+01  0.234580D+00 -0.489811D+01
               101           102           103           104           105 
      1  -0.731292D+01  0.186718D+01 -0.524948D+01 -0.102016D+02  0.350459D+01
      2   0.113194D+02 -0.332906D+01  0.801775D+01  0.161814D+02 -0.571453D+01
      3  -0.400651D+01  0.146188D+01 -0.276827D+01 -0.597981D+01  0.220994D+01
      4   0.826137D+01 -0.331027D+01  0.817568D+01  0.681808D+01 -0.332085D+01
      5  -0.179959D+01  0.190321D+01 -0.521095D+00 -0.177956D+01  0.161351D+01
      6  -0.553116D+01  0.603651D+01 -0.460266D+01 -0.778911D+01  0.656419D+01
               106           107           108           109           110 
      1   0.283299D+01  0.645029D+01 -0.630472D+01 -0.137914D+01 -0.322529D+01
      2  -0.373148D+01 -0.787287D+01  0.423504D+01  0.856869D+00  0.365587D+01
      3   0.898491D+00  0.142258D+01  0.206968D+01  0.522271D+00 -0.430584D+00
      4  -0.486372D+01 -0.404035D+01  0.440989D+01  0.113763D+01  0.338501D+01
      5   0.202576D+01  0.185294D+01 -0.241188D+01  0.148487D+01  0.936347D+00
      6   0.578134D+01  0.943110D+01 -0.804606D+01  0.251885D+01  0.336251D+01
               111           112           113           114           115 
      1  -0.246004D+01 -0.714420D+00 -0.367210D+01 -0.233055D+01 -0.158613D+01
      2   0.968809D+00  0.117052D+01  0.404610D+01  0.270999D+01 -0.273981D+00
      3   0.149123D+01 -0.456095D+00 -0.373998D+00 -0.379442D+00  0.186011D+01
      4   0.214209D+01  0.372210D+01  0.264896D+01  0.210207D+01  0.439851D+01
      5   0.187457D+01  0.256028D+00  0.138490D+01  0.180293D+01  0.226479D+01
      6   0.596938D+01  0.229610D+01  0.347486D+01  0.595950D+01  0.614426D+01
               116           117           118           119           120 
      1  -0.590230D+01 -0.971930D+01  0.372811D+02 -0.210413D+02  0.950526D+01
      2   0.445065D+01 -0.104294D+01 -0.153851D+02  0.822210D+01 -0.410570D+01
      3   0.145165D+01  0.107622D+02 -0.218959D+02  0.128192D+02 -0.539956D+01
      4   0.222475D+01  0.430863D+01 -0.286815D+02  0.243845D+02 -0.705016D+01
      5   0.135738D+01  0.211720D+01  0.117796D+02 -0.678309D+01  0.106087D+02
      6   0.828609D+01  0.187121D+02 -0.353647D+01  0.180775D+01 -0.144975D+01
               121           122           123           124           125 
      1  -0.235901D+02  0.158488D+02 -0.650315D+01  0.944280D+01 -0.603702D+01
      2   0.607299D+01  0.198861D+01  0.439494D+00 -0.479759D+01  0.318959D+01
      3   0.175171D+02 -0.178374D+02  0.606365D+01 -0.464521D+01  0.284743D+01
      4   0.331506D+02 -0.361638D+02  0.139182D+02 -0.121262D+02  0.151060D+02
      5  -0.114775D+02  0.137982D+02 -0.102721D+02  0.115392D+02 -0.821113D+01
      6   0.399938D+01 -0.579097D+01  0.441261D+01 -0.417729D+01  0.666815D+01
               126 
      1   0.344539D+01
      2  -0.268830D+01
      3  -0.757095D+00
      4  -0.819901D+01
      5   0.574793D+01
      6  -0.417463D+01
 Leave Link  716 at Thu Aug 12 21:16:53 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.928892D+02 -0.564673D+00 -0.102604D+01
      2  -0.564673D+00  0.775224D+02  0.295587D+00
      3  -0.102604D+01  0.295587D+00  0.614627D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.143332D+00 -0.321746D+01 -0.184363D+01
      2   0.358359D+01 -0.873838D+00  0.351654D+02
      3   0.565706D+01 -0.132789D+02  0.146883D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.973135D+02 -0.562215D+01  0.281954D+01
      2  -0.567120D+02  0.760811D+00  0.416895D+00
      3  -0.406015D+02  0.486134D+01 -0.323643D+01
      4  -0.880873D+01  0.171017D+02 -0.408768D+01
      5   0.658048D+01 -0.566455D+01  0.664228D+02
      6  -0.161818D+01  0.354165D+01  0.337686D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.103615D+02 -0.318831D+01  0.164758D+01 -0.418930D+01  0.116531D+01
      2  -0.318831D+01  0.127314D+00 -0.604947D+00  0.116531D+01  0.300710D+01
      3   0.164758D+01 -0.604947D+00 -0.727018D+00  0.714636D+00  0.123593D+01
                 6             7             8             9            10 
      1   0.714636D+00  0.263920D+01  0.426676D+00  0.213922D+01  0.112500D+02
      2   0.123593D+01  0.426676D+00  0.248899D+01  0.108061D+01  0.564466D+01
      3  -0.359571D+00  0.213922D+01  0.108061D+01 -0.617056D+01 -0.294998D+01
                11            12            13            14            15 
      1   0.564466D+01 -0.294998D+01  0.873014D+01  0.217230D+00  0.939791D+00
      2  -0.523417D+00  0.102738D+01  0.217230D+00  0.600625D+01 -0.290087D+01
      3   0.102738D+01  0.143818D+01  0.939791D+00 -0.290087D+01  0.190729D+01
                16            17            18            19            20 
      1  -0.452395D+01  0.804522D+00  0.307758D+01  0.430518D+01  0.310609D+01
      2   0.804522D+00 -0.325745D+01  0.102191D+01  0.310609D+01 -0.131217D+01
      3   0.307758D+01  0.102191D+01 -0.128173D+01 -0.562352D+00  0.436122D+00
                21            22            23            24            25 
      1  -0.562352D+00  0.447379D+01  0.302107D+00  0.128857D+00 -0.147762D+01
      2   0.436122D+00  0.302107D+00 -0.240900D+01 -0.660621D+00  0.987824D+00
      3  -0.743981D+00  0.128857D+00 -0.660621D+00  0.750303D+00 -0.617370D+00
                26            27            28            29            30 
      1   0.987824D+00 -0.617370D+00 -0.151546D+01 -0.152494D+01  0.658388D+00
      2  -0.134467D+01  0.310798D-01 -0.152494D+01 -0.163016D+01  0.823257D-01
      3   0.310798D-01  0.594905D+01  0.658388D+00  0.823257D-01 -0.180333D+01
                31            32            33            34            35 
      1  -0.121048D+01 -0.233021D+01  0.305152D+00  0.928134D+00  0.256581D+00
      2  -0.233021D+01  0.446621D+01  0.926806D+00  0.256581D+00  0.116999D+01
      3   0.305152D+00  0.926806D+00 -0.104657D+01 -0.222745D+01 -0.652837D+00
                36            37            38            39            40 
      1  -0.222745D+01 -0.433105D+01 -0.191084D+01  0.306527D-01 -0.192871D+01
      2  -0.652837D+00 -0.191084D+01  0.102982D+01  0.732192D-01  0.210521D+01
      3  -0.284980D+01  0.306527D-01  0.732192D-01 -0.589953D+00  0.227229D+00
                41            42            43            44            45 
      1   0.210521D+01  0.227229D+00  0.842219D+00  0.230730D+00 -0.310256D+00
      2   0.566990D+01  0.228346D+00  0.230730D+00  0.636262D+00  0.248245D+00
      3   0.228346D+00  0.361629D+00 -0.310256D+00  0.248245D+00 -0.345664D+00
                46            47            48            49            50 
      1  -0.211147D+01 -0.337913D+01 -0.212462D+00 -0.405061D+01 -0.293599D+01
      2  -0.337913D+01 -0.258546D+01 -0.192246D+00 -0.293599D+01 -0.127329D+02
      3  -0.212462D+00 -0.192246D+00 -0.116752D+00 -0.195976D+00 -0.362415D+00
                51            52            53            54            55 
      1  -0.195976D+00 -0.375627D+00 -0.924804D-01 -0.117609D+01 -0.818365D+01
      2  -0.362415D+00 -0.924804D-01 -0.205806D+00 -0.310168D+01  0.173670D+01
      3  -0.228168D+01 -0.117609D+01 -0.310168D+01 -0.231551D+00  0.513994D+00
                56            57            58            59            60 
      1   0.173670D+01  0.513994D+00 -0.188787D+01 -0.375096D+01 -0.551345D-01
      2  -0.231903D+01 -0.140441D+00 -0.375096D+01 -0.588999D+00  0.752447D-01
      3  -0.140441D+00 -0.696718D+00 -0.551345D-01  0.752447D-01  0.413925D+00
                61            62            63            64            65 
      1   0.869510D+00 -0.204165D+00 -0.184023D+01  0.459356D+00 -0.598585D+00
      2  -0.204165D+00 -0.212972D-01  0.121618D+01 -0.598585D+00  0.296574D+00
      3  -0.184023D+01  0.121618D+01  0.739539D+00 -0.906529D+00 -0.101521D+00
                66            67            68            69            70 
      1  -0.906529D+00 -0.103829D+01  0.107393D+00  0.660041D-01 -0.193651D+01
      2  -0.101521D+00  0.107393D+00  0.471000D+00 -0.101069D+01 -0.125840D+00
      3   0.640756D+00  0.660041D-01 -0.101069D+01 -0.274792D+00 -0.483793D-02
                71            72            73            74            75 
      1  -0.125840D+00 -0.483793D-02 -0.131820D+00  0.139975D+00  0.960941D+00
      2  -0.135488D+01  0.893140D-01  0.139975D+00 -0.774624D-01  0.230214D+00
      3   0.893140D-01 -0.743307D+01  0.960941D+00  0.230214D+00 -0.626411D+00
                76            77            78            79            80 
      1   0.102899D+01 -0.474542D+00 -0.380010D-01  0.300208D+01  0.221263D+00
      2  -0.474542D+00 -0.697528D+00  0.902840D+00  0.221263D+00  0.991268D+00
      3  -0.380010D-01  0.902840D+00  0.855108D-01 -0.196284D+01 -0.159267D+01
                81            82            83            84            85 
      1  -0.196284D+01 -0.306947D+00 -0.546812D+00 -0.469447D+00 -0.221657D+01
      2  -0.159267D+01 -0.546812D+00 -0.914395D-01  0.106251D+00 -0.118863D+01
      3   0.761719D+01 -0.469447D+00  0.106251D+00  0.164495D-01 -0.483845D-01
                86            87            88            89            90 
      1  -0.118863D+01 -0.483845D-01 -0.175850D+01 -0.262540D+00 -0.432065D+00
      2  -0.712618D+01 -0.479523D+00 -0.262540D+00 -0.148127D+01 -0.107394D+01
      3  -0.479523D+00 -0.843369D+00 -0.432065D+00 -0.107394D+01 -0.252108D-01
                91            92            93            94            95 
      1   0.217905D+01  0.181359D+01 -0.129007D+00  0.481663D+01  0.139642D+00
      2   0.181359D+01  0.542878D+00  0.924733D-01  0.139642D+00  0.439510D+01
      3  -0.129007D+00  0.924733D-01 -0.433593D+00 -0.147910D+00  0.220595D+00
                96            97            98            99           100 
      1  -0.147910D+00 -0.151783D+00 -0.766600D-01 -0.631305D+00  0.193097D+01
      2   0.220595D+00 -0.766600D-01  0.616778D-01  0.518353D+00  0.164076D+01
      3   0.813777D+00 -0.631305D+00  0.518353D+00  0.155046D+00 -0.787430D+00
               101           102           103           104           105 
      1   0.164076D+01 -0.787430D+00  0.207444D+01  0.183849D+01 -0.783084D+00
      2   0.261878D+01 -0.886936D+00  0.183849D+01  0.355517D+01 -0.112701D+01
      3  -0.886936D+00  0.106987D+01 -0.783084D+00 -0.112701D+01  0.136895D+01
               106           107           108           109           110 
      1  -0.199764D+01 -0.103821D+01  0.107994D+01  0.286790D+00  0.599861D+00
      2  -0.103821D+01 -0.223051D+01  0.157814D+01  0.599861D+00  0.819470D+00
      3   0.107994D+01  0.157814D+01 -0.183058D+01  0.679419D+00  0.723139D+00
               111           112           113           114           115 
      1   0.679419D+00  0.608433D+00  0.430834D+00  0.401437D+00  0.179712D+01
      2   0.723139D+00  0.430834D+00  0.128888D+01  0.809044D+00  0.409944D+00
      3   0.117907D+01  0.401437D+00  0.809044D+00  0.921909D+00  0.141708D+01
               116           117           118           119           120 
      1   0.409944D+00  0.141708D+01  0.653054D+01 -0.353303D+01  0.152623D+01
      2   0.207631D+01  0.169114D+01 -0.353303D+01  0.310430D+01 -0.845039D+00
      3   0.169114D+01  0.507939D+01  0.152623D+01 -0.845039D+00  0.139343D+01
               121           122           123           124           125 
      1  -0.521058D+01  0.437413D+01 -0.151462D+01  0.214337D+01 -0.153765D+01
      2   0.437413D+01 -0.530497D+01  0.214233D+01 -0.153765D+01  0.247137D+01
      3  -0.151462D+01  0.214233D+01 -0.181731D+01  0.148861D+01 -0.105386D+01
               126 
      1   0.148861D+01
      2  -0.105386D+01
      3   0.627943D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112882D+01 -0.118744D+01  0.473548D+00  0.463890D+00  0.502353D+01
      2   0.605722D+01 -0.133873D+01 -0.295464D+01  0.168372D+01 -0.152504D+00
      3   0.708144D+01  0.354104D+01  0.709210D+00  0.128248D+02 -0.376810D+01
                 6             7             8             9            10 
      1  -0.324364D+01  0.462468D+01  0.395082D+01 -0.498208D+01 -0.735886D-01
      2  -0.122238D+01 -0.826749D+01 -0.476023D+00 -0.257237D+01 -0.119911D+02
      3  -0.330824D+01 -0.287544D+01 -0.320331D+01 -0.348722D+01 -0.214098D+02
                11            12            13            14            15 
      1   0.169595D+01  0.433834D+00  0.122474D+01  0.109944D+01 -0.611768D+01
      2   0.199332D+01  0.818864D+01  0.913953D+00 -0.836001D+01  0.629030D+01
      3  -0.255653D+01 -0.110742D+01  0.175561D+02 -0.202133D+02  0.782714D+01
                16            17            18            19            20 
      1  -0.109154D+00  0.101344D+02 -0.173604D+01 -0.208697D+01  0.531303D+00
      2  -0.102690D+02  0.380043D+01 -0.188397D+01  0.170867D+01 -0.653517D+00
      3  -0.174259D+00  0.929772D+01 -0.384256D+01  0.153100D+01 -0.594250D+01
                21            22            23            24            25 
      1  -0.711832D+00  0.200562D+00  0.347502D+00 -0.714186D+00 -0.207194D+01
      2   0.329220D+01  0.210013D+01 -0.912201D+00  0.349765D+01 -0.380000D+01
      3   0.714061D+00 -0.122996D+01 -0.290099D+01  0.201847D+00 -0.820857D-01
                26            27            28            29            30 
      1   0.434665D+01 -0.233637D+00 -0.154707D+01 -0.122119D+01  0.562529D+01
      2   0.152669D+00 -0.477746D+01 -0.127347D+00  0.119360D+01  0.569547D+01
      3   0.198978D+01  0.533045D+00 -0.370574D+01 -0.124179D+02  0.966007D+00
                31            32            33            34            35 
      1  -0.241826D+01 -0.393349D+01 -0.232692D+01  0.569621D+01  0.669103D+01
      2  -0.547965D-02  0.299296D+00 -0.143221D+01 -0.219319D+01  0.114447D-01
      3   0.107639D+01  0.174278D+00  0.156160D+01  0.252205D+01  0.162432D+01
                36            37            38            39            40 
      1   0.534610D+01  0.123605D+01  0.744157D+00  0.436907D+00  0.165262D+01
      2   0.248137D+01 -0.423664D+01 -0.448671D+00 -0.600409D+01 -0.425624D+00
      3  -0.675885D+01 -0.643434D+01  0.119749D+01 -0.137925D+00  0.185943D+01
                41            42            43            44            45 
      1  -0.629688D+00  0.864799D+01  0.132217D+00  0.897720D+01  0.846265D+00
      2   0.102957D+01 -0.276032D+01 -0.199642D+02 -0.226643D+01  0.369186D+01
      3   0.119950D+02 -0.108205D+01  0.603178D+00 -0.184760D+01  0.103044D+01
                46            47            48            49            50 
      1   0.738511D-01  0.240641D+00 -0.281958D+01  0.122762D+00  0.120651D+01
      2   0.302322D+00  0.527939D+00  0.570090D+01 -0.171079D+01 -0.316257D+00
      3  -0.173556D+01 -0.622850D+01 -0.331853D+00  0.880031D+01 -0.232674D+02
                51            52            53            54            55 
      1  -0.105464D+02 -0.581251D+00  0.996639D+00 -0.149965D+00 -0.982242D+00
      2   0.553925D+01  0.348735D+01  0.597355D+01 -0.346904D+00  0.518235D-01
      3  -0.142335D-01 -0.935922D+00 -0.299183D-02 -0.569115D+01 -0.524956D+01
                56            57            58            59            60 
      1  -0.865491D+00  0.259433D+01 -0.401860D+00 -0.572732D+00 -0.366026D+01
      2   0.819720D+00  0.893237D+01  0.164556D+01 -0.203855D+00 -0.117464D+01
      3  -0.167860D+02 -0.402787D+00 -0.132807D+02 -0.754648D+01  0.260686D+00
                61            62            63            64            65 
      1   0.605507D+00  0.210374D+01 -0.502342D+00  0.454479D+00 -0.681339D+00
      2   0.715007D+01 -0.148202D+01 -0.288385D+01  0.200739D+01 -0.340222D+00
      3   0.186975D+00  0.166287D+01  0.252466D+01  0.254463D+00 -0.176233D+00
                66            67            68            69            70 
      1   0.114611D+00 -0.366735D+00 -0.394084D+00 -0.149498D+00  0.215378D+00
      2  -0.256547D+00 -0.489197D+00  0.752916D+00 -0.276524D+00 -0.319961D+01
      3  -0.292229D+00  0.178923D+01  0.816182D-01 -0.128153D+00 -0.562494D-01
                71            72            73            74            75 
      1   0.271431D+01  0.104885D+01  0.946768D+00 -0.104988D+01 -0.121244D+01
      2   0.110670D-01  0.323129D+01  0.192367D+01  0.776225D+00  0.230389D+01
      3  -0.554304D+00  0.522259D+00  0.102670D+01 -0.189278D+01 -0.144629D+01
                76            77            78            79            80 
      1  -0.763923D+00  0.106585D+00 -0.196431D-02 -0.202462D+01  0.147547D+01
      2  -0.735282D-01  0.103378D+01  0.241644D+00 -0.449250D+01 -0.883216D+00
      3  -0.394925D-01  0.435706D+00 -0.372765D+00 -0.329866D+01 -0.268316D+00
                81            82            83            84            85 
      1   0.654924D+01 -0.100958D+01 -0.413385D+00 -0.815087D+00 -0.766757D+00
      2   0.396869D+01 -0.667744D-01  0.804591D+00  0.187342D+01  0.910646D+00
      3   0.369984D+01  0.237975D+01 -0.189676D+00 -0.805226D-01  0.557436D+01
                86            87            88            89            90 
      1  -0.355124D+01 -0.281685D+01 -0.951363D+00 -0.111628D+01 -0.163009D+00
      2   0.135658D+01 -0.346696D+00 -0.658055D+00 -0.266040D+00 -0.578102D+00
      3   0.646915D+01  0.967964D+00  0.228415D+01  0.173287D+01  0.143766D+01
                91            92            93            94            95 
      1   0.788700D+00  0.633809D+00  0.890270D+00  0.582944D+00  0.867064D+00
      2  -0.793873D+00 -0.795819D+00 -0.142298D+01 -0.596650D+00 -0.979427D+00
      3   0.934746D+01  0.959321D+01  0.754349D-01  0.128154D+02  0.167100D+02
                96            97            98            99           100 
      1  -0.102853D+01  0.889923D+00  0.113177D+01  0.926549D-01  0.203982D+01
      2  -0.228057D+01 -0.192853D+01 -0.167726D+01 -0.545019D-01  0.139062D+01
      3   0.589860D+00 -0.340116D+00 -0.431591D+00 -0.310895D-01  0.678112D+01
               101           102           103           104           105 
      1   0.181980D+01 -0.336208D+01  0.191619D+01  0.229986D+01 -0.301393D+01
      2  -0.132280D+00 -0.204928D+00  0.182371D+00  0.478099D+00  0.640425D+00
      3   0.319223D+01 -0.210256D+01  0.656066D+01  0.460809D+01 -0.235738D+01
               106           107           108           109           110 
      1  -0.304385D+01 -0.200099D+01  0.335771D+01 -0.144381D+01 -0.503225D+00
      2  -0.197307D+01  0.142780D+00 -0.409160D+00 -0.171151D+01  0.206479D+00
      3  -0.564394D+01 -0.299127D+01  0.316199D+01  0.214492D+01  0.763841D+00
               111           112           113           114           115 
      1  -0.319105D+01 -0.390343D+00 -0.168295D+01 -0.210004D+01 -0.386642D+01
      2  -0.604866D+00  0.781236D-01 -0.262151D+00  0.572067D+00 -0.297171D+01
      3   0.133894D+01  0.191974D+01  0.501536D+00  0.856345D+00  0.416946D+01
               116           117           118           119           120 
      1  -0.161278D+01 -0.104735D+02  0.474780D+00  0.256288D+00  0.154328D+01
      2  -0.241246D+00 -0.189743D+01  0.497377D+01 -0.245804D+01  0.620865D+01
      3   0.130039D+01  0.452733D+01  0.827771D+01 -0.108610D+02  0.195598D+01
               121           122           123           124           125 
      1  -0.544105D+00 -0.340913D+00 -0.367554D+01  0.195134D+00  0.971338D+00
      2  -0.421324D+01  0.623617D+01 -0.728800D+01  0.266207D+01 -0.251940D+01
      3  -0.980844D+01  0.164407D+02 -0.551058D+01  0.364086D+01 -0.830856D+01
               126 
      1   0.114169D+01
      2   0.253850D+01
      3   0.237366D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.477699D+02 -0.561487D+01  0.254092D+01 -0.112981D+02  0.922842D+01
      2   0.262631D+02  0.326651D+01 -0.334826D+01  0.606950D+01 -0.121128D+02
      3   0.215068D+02  0.234836D+01  0.807338D+00  0.522861D+01  0.288440D+01
      4  -0.473626D+01 -0.679164D+01 -0.265164D+01  0.736195D+01  0.228249D+01
      5   0.720637D+01 -0.195145D+01 -0.113534D+02  0.452095D+01  0.174695D+01
      6  -0.359521D+01  0.207603D+01 -0.152075D+01  0.102805D+01 -0.419941D+01
                 6             7             8             9            10 
      1   0.674140D+01  0.709165D+01  0.565112D+01  0.170446D+02  0.702082D+02
      2  -0.598073D+01 -0.774306D+01 -0.567098D+01 -0.192768D+01 -0.412573D+02
      3  -0.760672D+00  0.651410D+00  0.198607D-01 -0.151169D+02 -0.289509D+02
      4   0.137058D+01  0.321541D+01  0.598645D+01  0.147368D+01  0.293820D+02
      5  -0.431875D+01  0.820047D+01  0.226736D+01 -0.502840D+01 -0.179206D+02
      6   0.273064D+01 -0.291224D+01  0.148078D+01  0.588252D+01  0.429371D+01
                11            12            13            14            15 
      1   0.280977D+02 -0.161691D+02  0.395370D+02 -0.111077D+02  0.542090D+00
      2  -0.142159D+02  0.645262D+01 -0.199322D+02  0.128396D+02  0.274661D+01
      3  -0.138818D+02  0.971647D+01 -0.196048D+02 -0.173190D+01 -0.328870D+01
      4   0.685743D+01  0.769676D+01  0.921409D+01  0.321816D+02 -0.165386D+02
      5   0.677378D+01  0.224413D+02  0.730930D+01 -0.160409D+02  0.109489D+02
      6  -0.192378D+01  0.506271D+00 -0.348430D+01  0.827819D+01  0.155468D+02
                16            17            18            19            20 
      1  -0.201796D+02 -0.468960D+00 -0.337034D+01 -0.257485D+01 -0.121277D+01
      2   0.884277D+01 -0.606839D+00 -0.185229D+02  0.405097D+01 -0.347319D-01
      3   0.113368D+02  0.107580D+01  0.218932D+02 -0.147611D+01  0.124750D+01
      4   0.848843D+01 -0.182396D+02  0.568875D+01 -0.460873D+01  0.447236D+01
      5   0.292072D+02  0.680639D+01 -0.462726D+01  0.107395D+01  0.568613D+00
      6   0.634391D+00  0.125386D+02  0.717819D+01  0.661835D+00 -0.188244D+01
                21            22            23            24            25 
      1  -0.738320D+00  0.552209D+01  0.386478D+01  0.109860D+01 -0.649219D+01
      2  -0.730234D+00 -0.227497D+01 -0.746362D+01 -0.423809D+00  0.299084D+01
      3   0.146855D+01 -0.324712D+01  0.359884D+01 -0.674792D+00  0.350135D+01
      4   0.290848D+00 -0.814707D+01  0.727523D+01  0.803326D+00 -0.121563D+01
      5   0.148443D+01  0.623603D+00  0.141150D+01  0.434082D+01 -0.144536D+01
      6   0.282174D-01 -0.165079D+01 -0.772634D-02 -0.296137D+01  0.478926D+00
                26            27            28            29            30 
      1   0.107944D+01  0.664527D+01  0.167005D+02  0.502657D+01  0.873670D+00
      2  -0.350975D+01  0.919440D+01 -0.125388D+02 -0.812840D+01  0.254653D+01
      3   0.243031D+01 -0.158397D+02 -0.416171D+01  0.310183D+01 -0.342020D+01
      4  -0.138725D+01  0.531991D+00 -0.438856D+01 -0.197556D+01  0.157024D+01
      5  -0.538722D+00 -0.245822D+01  0.156301D+00  0.804293D+00  0.452005D+01
      6   0.722010D+00  0.125405D+01  0.312442D+01  0.263622D+01 -0.100498D+02
                31            32            33            34            35 
      1   0.258462D+01 -0.155017D+02 -0.287809D+01 -0.146570D+01 -0.205526D+01
      2  -0.803104D+01  0.252770D+02  0.524054D+01  0.360020D+01  0.627771D+01
      3   0.544643D+01 -0.977533D+01 -0.236245D+01 -0.213449D+01 -0.422246D+01
      4   0.321323D+01 -0.123266D+02  0.492188D+00  0.231002D+01  0.153645D+01
      5   0.490338D+00 -0.480706D+00 -0.317960D+01  0.379345D+01 -0.289268D+01
      6   0.255330D+01  0.610936D+01  0.147964D+01 -0.112511D+02 -0.127260D+01
                36            37            38            39            40 
      1   0.321869D+01 -0.522932D+01  0.110403D+02  0.283477D+00 -0.774661D+00
      2  -0.234581D+01  0.943271D+00 -0.105660D+02 -0.258477D+01 -0.342842D+01
      3  -0.872882D+00  0.428605D+01 -0.474383D+00  0.230129D+01  0.420308D+01
      4  -0.838526D+01  0.580949D+01 -0.134122D+02 -0.132749D+01 -0.213272D+02
      5   0.108301D+00 -0.305301D+00 -0.210032D+01 -0.803634D+01 -0.366522D+01
      6  -0.824385D+01 -0.449279D+00 -0.569031D+00  0.118826D+01 -0.847052D+00
                41            42            43            44            45 
      1   0.644740D+01  0.555598D+00  0.348611D+01 -0.219360D+01 -0.484580D+01
      2  -0.175978D+02  0.848565D+00 -0.358680D+01  0.590862D+00 -0.604913D+01
      3   0.111504D+02 -0.140416D+01  0.100689D+00  0.160274D+01  0.108949D+02
      4  -0.287457D+02 -0.103818D+01 -0.186725D+01  0.134703D+01 -0.212975D+01
      5  -0.187475D+01 -0.335513D+01  0.221239D+01 -0.177751D+01  0.379947D+01
      6  -0.212798D+01 -0.125222D+02 -0.327640D+00  0.332985D+01 -0.935214D+00
                46            47            48            49            50 
      1   0.128905D+02  0.742464D+01  0.127929D+00  0.102219D+02 -0.215969D+02
      2  -0.217704D+01  0.201066D+01  0.297845D+00  0.236341D+01  0.418107D+02
      3  -0.107135D+02 -0.943530D+01 -0.425773D+00 -0.125853D+02 -0.202138D+02
      4   0.210134D+02  0.247710D+02  0.151698D+01  0.266157D+02  0.566182D+02
      5   0.164748D+01  0.182024D+01  0.906598D+01  0.207846D+01  0.290847D+01
      6   0.941348D+00  0.819460D+00  0.375121D+01  0.164035D+01  0.245586D+01
                51            52            53            54            55 
      1  -0.139875D+01 -0.116148D+00 -0.859798D+00 -0.358717D+01  0.544770D+02
      2   0.346147D+00  0.642686D+00 -0.146995D-01  0.281866D+01 -0.321256D+02
      3   0.105260D+01 -0.526538D+00  0.874498D+00  0.768510D+00 -0.223514D+02
      4   0.205365D+01  0.593875D+00  0.451010D+00  0.135451D+02 -0.205758D+02
      5   0.111667D+02  0.102718D+02  0.136288D+02  0.130663D+01 -0.313732D+01
      6   0.163920D+02  0.456291D+01  0.141349D+02  0.137682D+01  0.599957D+00
                56            57            58            59            60 
      1  -0.870180D+01 -0.139654D+01  0.599809D+01  0.124543D+02 -0.699100D+00
      2   0.244683D+01  0.213068D+01 -0.700526D+01 -0.458718D+01 -0.412008D-01
      3   0.625497D+01 -0.734135D+00  0.100717D+01 -0.786714D+01  0.740301D+00
      4   0.203184D+02  0.154532D+01  0.198195D+02 -0.429289D+01 -0.116960D+01
      5   0.118411D+01  0.167688D+02 -0.179565D+00 -0.135108D+01 -0.401608D+01
      6  -0.220095D+00 -0.442986D+01 -0.836699D+00  0.457930D+00  0.732630D+01
                61            62            63            64            65 
      1  -0.196345D+01  0.907672D+00  0.668656D+01  0.112079D+01  0.331371D+00
      2   0.219969D+01 -0.250372D+00 -0.876827D+01 -0.382231D+01 -0.148019D+00
      3  -0.236234D+00 -0.657300D+00  0.208172D+01  0.270152D+01 -0.183352D+00
      4   0.137452D+01 -0.149645D+01 -0.631413D+01 -0.302312D-01  0.409194D+00
      5   0.161886D+02 -0.701754D+01 -0.555672D+01 -0.345747D+00 -0.242884D+00
      6  -0.216435D+01  0.509998D+01  0.105587D+01 -0.309989D+00  0.252852D+00
                66            67            68            69            70 
      1   0.771253D+00  0.234212D+00 -0.448766D+01 -0.714012D-01  0.148379D+01
      2   0.704736D+00  0.507407D+00  0.716406D+00 -0.847616D+00  0.700972D+00
      3  -0.147599D+01 -0.741619D+00  0.377125D+01  0.919017D+00 -0.218476D+01
      4  -0.356353D+00  0.222367D+01 -0.841283D+00  0.369387D+00  0.100013D+01
      5   0.390759D+01  0.146265D+00  0.785907D-01 -0.330954D+00  0.386499D+01
      6   0.173479D+00  0.287693D+00  0.377476D+00  0.620744D+01  0.191217D+00
                71            72            73            74            75 
      1   0.159642D+01 -0.179924D+02  0.217547D+01 -0.325210D+00  0.356706D+01
      2  -0.102227D+01 -0.128731D+02 -0.439470D+01  0.144114D-01  0.791068D+00
      3  -0.574145D+00  0.308656D+02  0.221923D+01  0.310798D+00 -0.435813D+01
      4   0.893407D+00 -0.378381D+00  0.282287D+00  0.272896D+01 -0.700300D+00
      5   0.117826D+00  0.243479D+01 -0.196411D+01  0.161578D+00  0.756872D+01
      6   0.381494D+01 -0.270520D+01 -0.643570D+00 -0.895794D+00  0.142929D+01
                76            77            78            79            80 
      1   0.266389D+01 -0.521942D+01  0.183335D+01  0.119913D+02  0.564142D+01
      2  -0.817609D+00  0.260021D+01 -0.141188D+01 -0.167812D+01 -0.973562D+00
      3  -0.184629D+01  0.261921D+01 -0.421467D+00 -0.103132D+02 -0.466786D+01
      4   0.152161D+00 -0.188005D+00  0.692867D+00 -0.188920D+01 -0.424650D-01
      5  -0.502188D+00  0.667205D+00  0.232949D+00  0.131195D+01 -0.276774D+01
      6  -0.107826D+01 -0.233937D+01  0.491865D+01  0.278747D+01  0.568912D+01
                81            82            83            84            85 
      1  -0.264029D+02  0.236249D+01 -0.119712D+01 -0.284591D+00 -0.856382D+01
      2  -0.622251D+01  0.116089D+01  0.149546D+01  0.101632D+01  0.785231D+01
      3   0.326254D+02 -0.352339D+01 -0.298333D+00 -0.731730D+00  0.711512D+00
      4  -0.119686D+01  0.122564D+01  0.533530D+01  0.135656D+01  0.199967D+01
      5   0.472513D+01  0.256923D+00  0.748842D+00  0.244404D+01 -0.426778D+00
      6  -0.123167D+02  0.150826D+01  0.110596D+00  0.157597D+00 -0.599745D-01
                86            87            88            89            90 
      1  -0.211041D+02 -0.763209D+00 -0.460588D+01 -0.389536D+01 -0.507276D+01
      2   0.298668D+02  0.254718D+01  0.394770D+01  0.521123D+01  0.309247D+01
      3  -0.876266D+01 -0.178398D+01  0.658188D+00 -0.131587D+01  0.198029D+01
      4  -0.755888D+01  0.166964D+00  0.555051D+00 -0.207077D+01 -0.837134D+00
      5  -0.129621D+00 -0.612773D+00  0.484388D+00 -0.109821D+01 -0.845070D+00
      6   0.665153D+00  0.380945D+01  0.126480D+01  0.509015D+01  0.102310D+01
                91            92            93            94            95 
      1  -0.143800D+02 -0.404223D+01  0.143790D+00 -0.161948D+02 -0.663414D+01
      2   0.112385D+02  0.103815D+01 -0.126564D+00  0.868275D+01  0.979775D+01
      3   0.314152D+01  0.300408D+01 -0.172265D-01  0.751202D+01 -0.316361D+01
      4  -0.237963D+01 -0.122181D+01 -0.427016D+00  0.671507D+01 -0.182722D+02
      5   0.100246D+01  0.175113D+00 -0.173493D+01  0.134737D+01 -0.339195D+00
      6  -0.215760D+00 -0.431176D-01 -0.179004D+01 -0.271179D+00  0.731314D+00
                96            97            98            99           100 
      1   0.171559D+00  0.764503D+00 -0.111118D+00 -0.720221D+00 -0.203049D+01
      2  -0.646457D-01 -0.429796D+00  0.422758D-02  0.124942D+00  0.526111D+01
      3  -0.106913D+00 -0.334707D+00  0.106890D+00  0.595279D+00 -0.323062D+01
      4  -0.928043D+00  0.259967D-01 -0.268138D+00 -0.251750D+01  0.598558D+01
      5  -0.402039D+01  0.296939D+01 -0.229185D+01 -0.337923D+00 -0.196093D+01
      6   0.159906D+01 -0.157741D+01  0.250922D+01  0.234580D+00 -0.489811D+01
               101           102           103           104           105 
      1  -0.731292D+01  0.186718D+01 -0.524948D+01 -0.102016D+02  0.350459D+01
      2   0.113194D+02 -0.332906D+01  0.801775D+01  0.161814D+02 -0.571453D+01
      3  -0.400651D+01  0.146188D+01 -0.276827D+01 -0.597981D+01  0.220994D+01
      4   0.826137D+01 -0.331027D+01  0.817568D+01  0.681808D+01 -0.332085D+01
      5  -0.179959D+01  0.190321D+01 -0.521095D+00 -0.177956D+01  0.161351D+01
      6  -0.553116D+01  0.603651D+01 -0.460266D+01 -0.778911D+01  0.656419D+01
               106           107           108           109           110 
      1   0.283299D+01  0.645029D+01 -0.630472D+01 -0.137914D+01 -0.322529D+01
      2  -0.373148D+01 -0.787287D+01  0.423504D+01  0.856869D+00  0.365587D+01
      3   0.898491D+00  0.142258D+01  0.206968D+01  0.522271D+00 -0.430584D+00
      4  -0.486372D+01 -0.404035D+01  0.440989D+01  0.113763D+01  0.338501D+01
      5   0.202576D+01  0.185294D+01 -0.241188D+01  0.148487D+01  0.936347D+00
      6   0.578134D+01  0.943110D+01 -0.804606D+01  0.251885D+01  0.336251D+01
               111           112           113           114           115 
      1  -0.246004D+01 -0.714420D+00 -0.367210D+01 -0.233055D+01 -0.158613D+01
      2   0.968809D+00  0.117052D+01  0.404610D+01  0.270999D+01 -0.273981D+00
      3   0.149123D+01 -0.456095D+00 -0.373998D+00 -0.379442D+00  0.186011D+01
      4   0.214209D+01  0.372210D+01  0.264896D+01  0.210207D+01  0.439851D+01
      5   0.187457D+01  0.256028D+00  0.138490D+01  0.180293D+01  0.226479D+01
      6   0.596938D+01  0.229610D+01  0.347486D+01  0.595950D+01  0.614426D+01
               116           117           118           119           120 
      1  -0.590230D+01 -0.971930D+01  0.372811D+02 -0.210413D+02  0.950526D+01
      2   0.445065D+01 -0.104294D+01 -0.153851D+02  0.822210D+01 -0.410570D+01
      3   0.145165D+01  0.107622D+02 -0.218959D+02  0.128192D+02 -0.539956D+01
      4   0.222475D+01  0.430863D+01 -0.286815D+02  0.243845D+02 -0.705016D+01
      5   0.135738D+01  0.211720D+01  0.117796D+02 -0.678309D+01  0.106087D+02
      6   0.828609D+01  0.187121D+02 -0.353647D+01  0.180775D+01 -0.144975D+01
               121           122           123           124           125 
      1  -0.235901D+02  0.158488D+02 -0.650315D+01  0.944280D+01 -0.603702D+01
      2   0.607299D+01  0.198861D+01  0.439494D+00 -0.479759D+01  0.318959D+01
      3   0.175171D+02 -0.178374D+02  0.606365D+01 -0.464521D+01  0.284743D+01
      4   0.331506D+02 -0.361638D+02  0.139182D+02 -0.121262D+02  0.151060D+02
      5  -0.114775D+02  0.137982D+02 -0.102721D+02  0.115392D+02 -0.821113D+01
      6   0.399938D+01 -0.579097D+01  0.441261D+01 -0.417729D+01  0.666815D+01
               126 
      1   0.344539D+01
      2  -0.268830D+01
      3  -0.757095D+00
      4  -0.819901D+01
      5   0.574793D+01
      6  -0.417463D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.157796D+01      0.401079D+01      0.133785D+02
   x          0.121608D+01      0.309096D+01      0.103103D+02
   y          0.986679D+00      0.250789D+01      0.836541D+01
   z          0.193887D+00      0.492811D+00      0.164384D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.684752D+02      0.101470D+02      0.112900D+02
   aniso      0.287376D+02      0.425847D+01      0.473819D+01
   xx         0.845435D+02      0.125281D+02      0.139393D+02
   yx        -0.518949D+00     -0.769003D-01     -0.855631D-01
   yy         0.692906D+02      0.102678D+02      0.114245D+02
   zx        -0.126238D+01     -0.187066D+00     -0.208139D+00
   zy        -0.120961D+01     -0.179246D+00     -0.199438D+00
   zz         0.515915D+02      0.764508D+01      0.850630D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.772914D+02      0.114534D+02      0.127436D+02
   aniso      0.272986D+02      0.404524D+01      0.450093D+01
   xx         0.928892D+02      0.137648D+02      0.153154D+02
   yx        -0.564673D+00     -0.836760D-01     -0.931021D-01
   yy         0.775224D+02      0.114876D+02      0.127817D+02
   zx        -0.102604D+01     -0.152043D+00     -0.169171D+00
   zy         0.295587D+00      0.438015D-01      0.487358D-01
   zz         0.614627D+02      0.910783D+01      0.101338D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.76920452         -1.90050480          0.49443226
    16          2.39580603         -1.98489434          3.54836589
     6          0.09923340          0.82896459         -0.14103753
     7         -1.57820825          2.09254007          1.66769955
     6         -1.04814862          0.96213429         -2.81937549
     8         -0.27293981         -0.27239688         -4.55741885
     8         -2.93722072          2.62165445         -3.02878550
     1          1.84637537          1.92807387         -0.24672714
     1         -0.94548680         -3.04325689          0.58322092
     1          1.98370407         -2.65509502         -0.97805927
     1         -3.18764397          3.29841363         -1.31358159
     1         -0.60348206          3.01704625          3.02583198
     1         -2.73663425          0.84066197          2.54056092
     1          3.11726669         -4.41293816          3.42651036

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.157796D+01      0.401079D+01      0.133785D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.157796D+01      0.401079D+01      0.133785D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.684752D+02      0.101470D+02      0.112900D+02
   aniso      0.287376D+02      0.425847D+01      0.473819D+01
   xx         0.624898D+02      0.926003D+01      0.103032D+02
   yx        -0.116300D+02     -0.172339D+01     -0.191753D+01
   yy         0.657786D+02      0.974738D+01      0.108454D+02
   zx         0.855548D+01      0.126779D+01      0.141061D+01
   zy        -0.275531D+01     -0.408294D+00     -0.454289D+00
   zz         0.771573D+02      0.114335D+02      0.127215D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.772914D+02      0.114534D+02      0.127436D+02
   aniso      0.272986D+02      0.404524D+01      0.450093D+01
   xx         0.725630D+02      0.107527D+02      0.119640D+02
   yx        -0.112291D+02     -0.166399D+01     -0.185143D+01
   yy         0.735978D+02      0.109061D+02      0.121346D+02
   zx         0.751183D+01      0.111314D+01      0.123853D+01
   zy        -0.352392D+01     -0.522191D+00     -0.581016D+00
   zz         0.857134D+02      0.127014D+02      0.141322D+02

 ----------------------------------------------------------------------
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 A COMPUTER IS LIKE A HORSE, IT WILL SENSE WEAKNESS.
     -- GREG WETTSTEIN
 Job cpu time:       0 days  2 hours 46 minutes 23.1 seconds.
 Elapsed time:       0 days  0 hours 20 minutes 50.7 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:16:53 2021.
